6EP

2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid

Created:	2016-03-23
Last modified:	2016-07-27

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1 entries where 6EP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	17

2D diagram of 6EP

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Chemical Component Summary
Name	2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-[5-[(4-chloranyl-2-methyl-phenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
Formula	C₁₇ H₁₄ Cl N₃ O₃
Molecular Weight	343.764
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c(n(c1cc(ccn1)C(=O)O)nc2)OCc3ccc(Cl)cc3C
SMILES	CACTVS	3.385	Cc1cc(Cl)ccc1COc2ccnn2c3cc(ccn3)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl
Canonical SMILES	CACTVS	3.385	Cc1cc(Cl)ccc1COc2ccnn2c3cc(ccn3)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl
InChI	InChI	1.03	InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
InChIKey	InChI	1.03	PSOBPHXKKHPWMU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3786952
PubChem	74766595
ChEMBL	CHEMBL3786952

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