5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid

C14H13ClN2O2 — CID 113321608

IUPAC5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccccc1Cl)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H13ClN2O2/c1-17(9-10-4-2-3-5-12(10)15)11-6-7-13(14(18)19)16-8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNLODYDCYXFCQKD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.07
Rot. Bonds4

About 5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid

5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 113321608) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
PubChem CID113321608
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccccc1Cl)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H13ClN2O2/c1-17(9-10-4-2-3-5-12(10)15)11-6-7-13(14(18)19)16-8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNLODYDCYXFCQKD-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

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Related Compounds

5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 166869444
5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 115490786
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382004
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
N-[(2-chlorophenyl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide
CID 104642594
N-[(2-chlorophenyl)methyl]-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine
CID 83111933
5-[benzyl(methyl)amino]-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109189327
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
CID 113321661
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
3-chloro-4-[(2-chlorophenyl)methyl-methylamino]benzoic acid
CID 63514701

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid (CID 113321608) is 5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid is CN(Cc1ccccc1Cl)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is NLODYDCYXFCQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-17(9-10-4-2-3-5-12(10)15)11-6-7-13(14(18)19)16-8-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid?
5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-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 5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113321608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).