2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid

C14H13ClN2O2 — CID 43343644

IUPAC2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
SMILESCN(Cc1ccccc1)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C14H13ClN2O2/c1-17(9-10-5-3-2-4-6-10)13-8-11(14(18)19)7-12(15)16-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyVJFSHIKGEAAJJF-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.07
Rot. Bonds4

About 2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid

2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid (PubChem CID 43343644) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
PubChem CID43343644
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
SMILESCN(Cc1ccccc1)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C14H13ClN2O2/c1-17(9-10-5-3-2-4-6-10)13-8-11(14(18)19)7-12(15)16-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyVJFSHIKGEAAJJF-UHFFFAOYSA-N
XLogP3.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417716
2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417811
2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417393
2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid
CID 61422213
2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid
CID 143234511
2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 79858550
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
2-chloro-6-[cyclohexylmethyl(methyl)amino]pyridine-4-carboxylic acid
CID 61446979
3-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]benzoate
CID 7144727
1-(4-acetylpiperazin-1-yl)-2-[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylethanone
CID 42754050
2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid
CID 54998875
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid (CID 43343644) is 2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid is CN(Cc1ccccc1)c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid?
The InChIKey is VJFSHIKGEAAJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-17(9-10-5-3-2-4-6-10)13-8-11(14(18)19)7-12(15)16-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid?
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 43343644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).