5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid

C14H10ClN3O3 — CID 114919958

IUPAC5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid
SMILESCOc1cc(C#N)ccc1Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C14H10ClN3O3/c1-21-12-4-8(6-16)2-3-11(12)18-13-5-9(14(19)20)10(15)7-17-13/h2-5,7H,1H3,(H,17,18)(H,19,20)
InChIKeyXMCDNRJGLUGCFT-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.06
Rot. Bonds4

About 5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid

5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid (PubChem CID 114919958) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid
PubChem CID114919958
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid
SMILESCOc1cc(C#N)ccc1Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C14H10ClN3O3/c1-21-12-4-8(6-16)2-3-11(12)18-13-5-9(14(19)20)10(15)7-17-13/h2-5,7H,1H3,(H,17,18)(H,19,20)
InChIKeyXMCDNRJGLUGCFT-UHFFFAOYSA-N
XLogP3.06
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
CID 114919808
5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid
CID 104849557
5-[(4-cyano-2-methoxyanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631557
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303
5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 114919577
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
4-[(6-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 104849775
4-[(3,4-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 104848048

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid (CID 114919958) is 5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid is COc1cc(C#N)ccc1Nc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid?
The InChIKey is XMCDNRJGLUGCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c1-21-12-4-8(6-16)2-3-11(12)18-13-5-9(14(19)20)10(15)7-17-13/h2-5,7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid?
5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid has a molecular weight of 303.71 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).