3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid

C14H13ClN2O2 — CID 54944509

IUPAC3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
SMILESCc1ccccc1CNc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H13ClN2O2/c1-9-4-2-3-5-10(9)8-16-12-7-6-11(15)13(17-12)14(18)19/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyIWSVDXGZBSVMRJ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.35
Rot. Bonds4

About 3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid

3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 54944509) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID54944509
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
SMILESCc1ccccc1CNc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H13ClN2O2/c1-9-4-2-3-5-10(9)8-16-12-7-6-11(15)13(17-12)14(18)19/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyIWSVDXGZBSVMRJ-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 106261584
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
CID 104591662
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604
N-(3-chloro-4-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368566
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063
3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid
CID 107799280
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80899164
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
3-methyl-2-[(2-methylphenyl)methylamino]benzoic acid
CID 107111894
6-chloro-N-[(2-methylphenyl)methyl]-4-nitropyridin-2-amine
CID 103886427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid (CID 54944509) is 3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid is Cc1ccccc1CNc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is IWSVDXGZBSVMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-4-2-3-5-10(9)8-16-12-7-6-11(15)13(17-12)14(18)19/h2-7H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid?
3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 54944509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).