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

C9H7ClN2OS — CID 119085250

IUPAC(3-chloropyrazin-2-yl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1nccnc1Cl
InChIInChI=1S/C9H7ClN2OS/c10-9-7(11-2-3-12-9)8(13)6-1-4-14-5-6/h1-5,8,13H
InChIKeyRNIYYNHLCTZVSH-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.27
Rot. Bonds2

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

(3-chloropyrazin-2-yl)-thiophen-3-ylmethanol (PubChem CID 119085250) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)-thiophen-3-ylmethanol
PubChem CID119085250
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name(3-chloropyrazin-2-yl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1nccnc1Cl
InChIInChI=1S/C9H7ClN2OS/c10-9-7(11-2-3-12-9)8(13)6-1-4-14-5-6/h1-5,8,13H
InChIKeyRNIYYNHLCTZVSH-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

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Related Compounds

(3-chloropyrazin-2-yl)-thiophen-2-ylmethanol
CID 119085249
(3-bromophenyl)-(3-chloropyrazin-2-yl)methanol
CID 57456309
quinoxalin-5-yl(thiophen-3-yl)methanol
CID 105102725
(6-methyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 63155454
(R)-furan-2-yl(thiophen-3-yl)methanol
CID 95256698
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
thiophen-3-yl-(4-trimethylsilylphenyl)methanol
CID 166444858
1-(3-chloro-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 103444122
(3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol
CID 115805570
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 104600318
1-thiophen-3-ylethanol
CID 12744375

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)-thiophen-3-ylmethanol?
The IUPAC name of (3-chloropyrazin-2-yl)-thiophen-3-ylmethanol (CID 119085250) is (3-chloropyrazin-2-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (3-chloropyrazin-2-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (3-chloropyrazin-2-yl)-thiophen-3-ylmethanol is OC(c1ccsc1)c1nccnc1Cl.
What is the InChIKey of (3-chloropyrazin-2-yl)-thiophen-3-ylmethanol?
The InChIKey is RNIYYNHLCTZVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-9-7(11-2-3-12-9)8(13)6-1-4-14-5-6/h1-5,8,13H.
What are the key properties of (3-chloropyrazin-2-yl)-thiophen-3-ylmethanol?
(3-chloropyrazin-2-yl)-thiophen-3-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-3-ylmethanol is sourced from PubChem (CID 119085250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).