(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol

C13H9ClN2OS — CID 107361966

IUPAC(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol
SMILESOC(c1sccc1Cl)c1cccc2nccnc12
InChIInChI=1S/C13H9ClN2OS/c14-9-4-7-18-13(9)12(17)8-2-1-3-10-11(8)16-6-5-15-10/h1-7,12,17H
InChIKeyPWVMYEPFDLAGPC-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.43
Rot. Bonds2

About (3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol

(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol (PubChem CID 107361966) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol
PubChem CID107361966
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol
SMILESOC(c1sccc1Cl)c1cccc2nccnc12
InChIInChI=1S/C13H9ClN2OS/c14-9-4-7-18-13(9)12(17)8-2-1-3-10-11(8)16-6-5-15-10/h1-7,12,17H
InChIKeyPWVMYEPFDLAGPC-UHFFFAOYSA-N
XLogP3.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 107361665
quinoxalin-5-yl(thiophen-3-yl)methanol
CID 105102725
(4-chlorophenyl)-quinoxalin-5-ylmethanol
CID 105120341
(3-chlorothiophen-2-yl)-quinoxalin-6-ylmethanol
CID 107359525
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
1-quinoxalin-5-ylprop-2-yn-1-ol
CID 105106188
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
(3-ethylthiophen-2-yl)-quinolin-8-ylmethanol
CID 115826964
N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
CID 105172958
2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol
CID 105086789
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol?
The IUPAC name of (3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol (CID 107361966) is (3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol is OC(c1sccc1Cl)c1cccc2nccnc12.
What is the InChIKey of (3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol?
The InChIKey is PWVMYEPFDLAGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-9-4-7-18-13(9)12(17)8-2-1-3-10-11(8)16-6-5-15-10/h1-7,12,17H.
What are the key properties of (3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol?
(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol has a molecular weight of 276.75 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol is sourced from PubChem (CID 107361966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).