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-(4-Chloro-phenylamino)-nicotinic acid
CID 1432578
2-(Methylamino)pyridine-4-carboxylic acid
CID 6484235
2-[3-(4-Chlorophenyl)-4-cyanopyrrol-1-yl]pyridine-4-carboxylic acid
CID 59477649
2-[3-(2-Chlorophenyl)-4-cyanopyrrol-1-yl]pyridine-4-carboxylic acid
CID 59477956
2-(3-(2-chlorophenyl)-5-hydroxy-1H-pyrazol-1-yl)isonicotinic acid
CID 76901432
2-[3-(4-Chlorophenyl)-5-hydroxypyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725669
2-[3-(3-Chlorophenyl)-5-hydroxypyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205089
5-Chloro-2-(cyclopropylamino)pyridine-4-carboxylic acid
CID 114919009
2-Chloro-6-(dimethylamino)isonicotinic acid
CID 21430354
2-Dimethylamino-isonicotinic acid
CID 6484234
2-(4-Methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-(3-Methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 6496940

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).