5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid

C13H13ClN2O2S — CID 114136292

IUPAC5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCCc1ccc(CNc2ncc(C(=O)O)cc2Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-2-9-3-4-10(19-9)7-16-12-11(14)5-8(6-15-12)13(17)18/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyNDXMUCRCVIIWDV-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.67
Rot. Bonds5

About 5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid

5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114136292) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID114136292
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCCc1ccc(CNc2ncc(C(=O)O)cc2Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-2-9-3-4-10(19-9)7-16-12-11(14)5-8(6-15-12)13(17)18/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyNDXMUCRCVIIWDV-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-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine
CID 106007348
5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 62990731
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106013087
5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 106034383
5-chloro-6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133325951
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114136294
5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114100477
5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80528307
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid (CID 114136292) is 5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid is CCc1ccc(CNc2ncc(C(=O)O)cc2Cl)s1.
What is the InChIKey of 5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is NDXMUCRCVIIWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-2-9-3-4-10(19-9)7-16-12-11(14)5-8(6-15-12)13(17)18/h3-6H,2,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-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 5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114136292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).