2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid

C13H11ClN2O2 — CID 21484036

IUPAC2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1-c1ccnc(N)c1C(=O)O
InChIInChI=1S/C13H11ClN2O2/c1-7-8(3-2-4-10(7)14)9-5-6-16-12(15)11(9)13(17)18/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyATRMSLKONCHVLP-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.99
Rot. Bonds2

About 2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid

2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 21484036) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid
PubChem CID21484036
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1-c1ccnc(N)c1C(=O)O
InChIInChI=1S/C13H11ClN2O2/c1-7-8(3-2-4-10(7)14)9-5-6-16-12(15)11(9)13(17)18/h2-6H,1H3,(H2,15,16)(H,17,18)
InChIKeyATRMSLKONCHVLP-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid (CID 21484036) is 2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid is Cc1c(Cl)cccc1-c1ccnc(N)c1C(=O)O.
What is the InChIKey of 2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is ATRMSLKONCHVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-7-8(3-2-4-10(7)14)9-5-6-16-12(15)11(9)13(17)18/h2-6H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid?
2-amino-4-(3-chloro-2-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 2-amino-4-(3-chloro-2-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 21484036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).