3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid

C13H13ClN2O2S — CID 107062834

IUPAC3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
SMILESCCc1ccsc1CNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C13H13ClN2O2S/c1-2-8-4-6-19-10(8)7-16-12-11(14)9(13(17)18)3-5-15-12/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyHGZMUSDQXMWKOC-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.67
Rot. Bonds5

About 3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid

3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 107062834) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID107062834
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
SMILESCCc1ccsc1CNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C13H13ClN2O2S/c1-2-8-4-6-19-10(8)7-16-12-11(14)9(13(17)18)3-5-15-12/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyHGZMUSDQXMWKOC-UHFFFAOYSA-N
XLogP3.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061814
3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 107061768
4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81244415
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793
3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106042704
3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061923
4-[(3-ethylthiophen-2-yl)methylamino]-2-methylbenzoic acid
CID 81282547
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
2-chloro-4-N-[(3-ethylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 114043903
3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine
CID 114836004
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid (CID 107062834) is 3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid is CCc1ccsc1CNc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is HGZMUSDQXMWKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-2-8-4-6-19-10(8)7-16-12-11(14)9(13(17)18)3-5-15-12/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid?
3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 296.78 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).