3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide

C12H11ClN2O2S — CID 103715894

IUPAC3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1ccncc1Cl
InChIInChI=1S/C12H11ClN2O2S/c13-10-5-14-3-1-9(10)12(17)15-6-11(16)8-2-4-18-7-8/h1-5,7,11,16H,6H2,(H,15,17)
InChIKeyJIHLJCSWWHHXKD-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.26
Rot. Bonds4

About 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide

3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide (PubChem CID 103715894) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
PubChem CID103715894
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1ccncc1Cl
InChIInChI=1S/C12H11ClN2O2S/c13-10-5-14-3-1-9(10)12(17)15-6-11(16)8-2-4-18-7-8/h1-5,7,11,16H,6H2,(H,15,17)
InChIKeyJIHLJCSWWHHXKD-UHFFFAOYSA-N
XLogP2.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide
CID 111441717
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide (CID 103715894) is 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide is O=C(NCC(O)c1ccsc1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide?
The InChIKey is JIHLJCSWWHHXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-10-5-14-3-1-9(10)12(17)15-6-11(16)8-2-4-18-7-8/h1-5,7,11,16H,6H2,(H,15,17).
What are the key properties of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide?
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide has a molecular weight of 282.75 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 103715894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).