(3-chloropyrazin-2-yl)-thiophen-2-ylmethanol

C9H7ClN2OS — CID 119085249

IUPAC(3-chloropyrazin-2-yl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1nccnc1Cl
InChIInChI=1S/C9H7ClN2OS/c10-9-7(11-3-4-12-9)8(13)6-2-1-5-14-6/h1-5,8,13H
InChIKeyJIRPGIAOQJZBAG-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.27
Rot. Bonds2

About (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol

(3-chloropyrazin-2-yl)-thiophen-2-ylmethanol (PubChem CID 119085249) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)-thiophen-2-ylmethanol
PubChem CID119085249
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name(3-chloropyrazin-2-yl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1nccnc1Cl
InChIInChI=1S/C9H7ClN2OS/c10-9-7(11-3-4-12-9)8(13)6-2-1-5-14-6/h1-5,8,13H
InChIKeyJIRPGIAOQJZBAG-UHFFFAOYSA-N
XLogP2.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol 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 (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol?
The IUPAC name of (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol (CID 119085249) is (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol is OC(c1cccs1)c1nccnc1Cl.
What is the InChIKey of (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol?
The InChIKey is JIRPGIAOQJZBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-9-7(11-3-4-12-9)8(13)6-2-1-5-14-6/h1-5,8,13H.
What are the key properties of (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol?
(3-chloropyrazin-2-yl)-thiophen-2-ylmethanol has a molecular weight of 226.69 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 119085249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).