N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide

C12H11ClN2O2S — CID 71989471

IUPACN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)s1)c1ccccn1
InChIInChI=1S/C12H11ClN2O2S/c13-11-5-4-10(18-11)9(16)7-15-12(17)8-3-1-2-6-14-8/h1-6,9,16H,7H2,(H,15,17)
InChIKeyQKGMBEWIFXOYIG-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide (PubChem CID 71989471) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide
PubChem CID71989471
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)s1)c1ccccn1
InChIInChI=1S/C12H11ClN2O2S/c13-11-5-4-10(18-11)9(16)7-15-12(17)8-3-1-2-6-14-8/h1-6,9,16H,7H2,(H,15,17)
InChIKeyQKGMBEWIFXOYIG-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

Analyze N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide (CID 71989471) is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide is O=C(NCC(O)c1ccc(Cl)s1)c1ccccn1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide?
The InChIKey is QKGMBEWIFXOYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-11-5-4-10(18-11)9(16)7-15-12(17)8-3-1-2-6-14-8/h1-6,9,16H,7H2,(H,15,17).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide?
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-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 N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71989471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).