5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid

C14H13ClN2O2 — CID 12640232

IUPAC5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)ccc1NCc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-9-12(5-6-13(17-9)14(18)19)16-8-10-3-2-4-11(15)7-10/h2-7,16H,8H2,1H3,(H,18,19)
InChIKeyGHHIVVZAHSQQTC-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.35
Rot. Bonds4

About 5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid

5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid (PubChem CID 12640232) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid
PubChem CID12640232
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)ccc1NCc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-9-12(5-6-13(17-9)14(18)19)16-8-10-3-2-4-11(15)7-10/h2-7,16H,8H2,1H3,(H,18,19)
InChIKeyGHHIVVZAHSQQTC-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

6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid
CID 174952504
3-chloro-4-[(3-chlorophenyl)methylamino]benzoic acid
CID 63087800
4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
CID 62533427
5-[(3-chlorophenyl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63757585
ethyl 3-amino-4-[(3-chlorophenyl)methylamino]benzoate
CID 62532277
ethyl 5-amino-2-[(3-chlorophenyl)methylamino]benzoate
CID 62532105
2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 82155371
4-[(3-chlorophenyl)methylamino]phthalic acid
CID 67019673
4-[[5-chloro-2-[(3-chlorophenyl)methylamino]benzoyl]amino]benzoic acid
CID 59047862
N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692106
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid (CID 12640232) is 5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid is Cc1nc(C(=O)O)ccc1NCc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid?
The InChIKey is GHHIVVZAHSQQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-12(5-6-13(17-9)14(18)19)16-8-10-3-2-4-11(15)7-10/h2-7,16H,8H2,1H3,(H,18,19).
What are the key properties of 5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid?
5-[(3-chlorophenyl)methylamino]-6-methylpyridine-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 5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 12640232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).