6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid

C13H11ClN2O2 — CID 74888630

IUPAC6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)cnc2N)ccc1Cl
InChIInChI=1S/C13H11ClN2O2/c1-7-4-8(2-3-11(7)14)10-5-9(13(17)18)6-16-12(10)15/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyFKZBGXBAGTWDTF-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.99
Rot. Bonds2

About 6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid

6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 74888630) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
PubChem CID74888630
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)cnc2N)ccc1Cl
InChIInChI=1S/C13H11ClN2O2/c1-7-4-8(2-3-11(7)14)10-5-9(13(17)18)6-16-12(10)15/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyFKZBGXBAGTWDTF-UHFFFAOYSA-N
XLogP2.99
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223511
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
6-amino-5-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087190
2-(3-chloro-4-methylphenyl)pyrimidine-5-carboxylic acid
CID 24903647
5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087222
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine
CID 83171115
6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313827
5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087184
6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 133086684
2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
CID 53226778
3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine
CID 79700423

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid (CID 74888630) is 6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid is Cc1cc(-c2cc(C(=O)O)cnc2N)ccc1Cl.
What is the InChIKey of 6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is FKZBGXBAGTWDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-7-4-8(2-3-11(7)14)10-5-9(13(17)18)6-16-12(10)15/h2-6H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid?
6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 262.70 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 74888630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).