3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid

C13H11ClN2O2 — CID 107062181

IUPAC3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
SMILESCN(c1ccccc1)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C13H11ClN2O2/c1-16(9-5-3-2-4-6-9)12-11(14)10(13(17)18)7-8-15-12/h2-8H,1H3,(H,17,18)
InChIKeyJGAVPOOEHRBVCD-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.20
Rot. Bonds3

About 3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid

3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid (PubChem CID 107062181) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
PubChem CID107062181
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
SMILESCN(c1ccccc1)c1nccc(C(=O)O)c1Cl
InChIInChI=1S/C13H11ClN2O2/c1-16(9-5-3-2-4-6-9)12-11(14)10(13(17)18)7-8-15-12/h2-8H,1H3,(H,17,18)
InChIKeyJGAVPOOEHRBVCD-UHFFFAOYSA-N
XLogP3.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid
CID 107062369
3-chloro-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxylic acid
CID 107062432
4-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]benzoic acid
CID 107056589
3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062353
3-chloro-2-[methyl(pent-4-enyl)amino]pyridine-4-carboxylic acid
CID 107063051
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062243
3-chloro-2-[2-(cyclopropylmethoxy)ethyl-methylamino]pyridine-4-carboxylic acid
CID 107062851
3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062384
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739430
2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063355

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid (CID 107062181) is 3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid is CN(c1ccccc1)c1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid?
The InChIKey is JGAVPOOEHRBVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-16(9-5-3-2-4-6-9)12-11(14)10(13(17)18)7-8-15-12/h2-8H,1H3,(H,17,18).
What are the key properties of 3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid?
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid has a molecular weight of 262.70 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107062181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).