2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid

C15H15ClN2O3 — CID 61417811

IUPAC2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCOc1cccc(CN(C)c2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C15H15ClN2O3/c1-18(9-10-4-3-5-12(6-10)21-2)14-8-11(15(19)20)7-13(16)17-14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyMBFXPAGNCBHNGA-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.08
Rot. Bonds5

About 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid

2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid (PubChem CID 61417811) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
PubChem CID61417811
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCOc1cccc(CN(C)c2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C15H15ClN2O3/c1-18(9-10-4-3-5-12(6-10)21-2)14-8-11(15(19)20)7-13(16)17-14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyMBFXPAGNCBHNGA-UHFFFAOYSA-N
XLogP3.08
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417716
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 60709004
6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 112724532
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
[6-[(3-methoxyphenyl)methyl-methylamino]pyridazin-3-yl]methanol
CID 61417756
4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80794623
2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid
CID 54998875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid (CID 61417811) is 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid is COc1cccc(CN(C)c2cc(C(=O)O)cc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The InChIKey is MBFXPAGNCBHNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-18(9-10-4-3-5-12(6-10)21-2)14-8-11(15(19)20)7-13(16)17-14/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid?
2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 61417811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).