2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid

C13H13ClN2O2S — CID 61477326

IUPAC2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccc(C(C)Nc2cc(C(=O)O)cc(Cl)n2)s1
InChIInChI=1S/C13H13ClN2O2S/c1-7-3-4-10(19-7)8(2)15-12-6-9(13(17)18)5-11(14)16-12/h3-6,8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyXHWLPXVHJPIBOE-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.98
Rot. Bonds4

About 2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid

2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 61477326) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
PubChem CID61477326
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccc(C(C)Nc2cc(C(=O)O)cc(Cl)n2)s1
InChIInChI=1S/C13H13ClN2O2S/c1-7-3-4-10(19-7)8(2)15-12-6-9(13(17)18)5-11(14)16-12/h3-6,8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyXHWLPXVHJPIBOE-UHFFFAOYSA-N
XLogP3.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 62238868
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
CID 43533609
6-methyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyrimidine-4-carboxylic acid
CID 107553535
2-chloro-6-(1-pyridin-3-ylethylamino)pyridine-4-carboxylic acid
CID 43523832
2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 62186333
2-(but-3-yn-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 114417592
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-chloropyridine-4-carboxylic acid
CID 114176382
2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131107
2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
CID 63538856
2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 62305582
3-fluoro-4-[1-(5-methylthiophen-2-yl)ethylamino]benzoic acid
CID 55108031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid (CID 61477326) is 2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid is Cc1ccc(C(C)Nc2cc(C(=O)O)cc(Cl)n2)s1.
What is the InChIKey of 2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is XHWLPXVHJPIBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-7-3-4-10(19-7)8(2)15-12-6-9(13(17)18)5-11(14)16-12/h3-6,8H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid?
2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 296.78 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 61477326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).