4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid

C13H11ClN2O3 — CID 81232706

IUPAC4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1Nc1ccncc1C(=O)O
InChIInChI=1S/C13H11ClN2O3/c1-19-12-3-2-8(14)6-11(12)16-10-4-5-15-7-9(10)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyHLOFZJBFUDGCOC-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.19
Rot. Bonds4

About 4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid

4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid (PubChem CID 81232706) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
PubChem CID81232706
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(Cl)cc1Nc1ccncc1C(=O)O
InChIInChI=1S/C13H11ClN2O3/c1-19-12-3-2-8(14)6-11(12)16-10-4-5-15-7-9(10)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyHLOFZJBFUDGCOC-UHFFFAOYSA-N
XLogP3.19
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234108
4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 103414759
N-(5-chloro-2-methoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237296
4-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53229506
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
5-(5-chloro-2-methoxyanilino)furan-2-carboxylic acid
CID 62204586
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83079420
3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
CID 114288885
4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270772

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid (CID 81232706) is 4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid is COc1ccc(Cl)cc1Nc1ccncc1C(=O)O.
What is the InChIKey of 4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is HLOFZJBFUDGCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-19-12-3-2-8(14)6-11(12)16-10-4-5-15-7-9(10)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid?
4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 278.70 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81232706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).