[7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol

C14H10ClNOS — CID 166359967

IUPAC[7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol
SMILESOCc1cc2cccc(-c3ccncc3Cl)c2s1
InChIInChI=1S/C14H10ClNOS/c15-13-7-16-5-4-11(13)12-3-1-2-9-6-10(8-17)18-14(9)12/h1-7,17H,8H2
InChIKeyMLYULSAQJHVZHZ-UHFFFAOYSA-N
MW275.76 g/mol
LogP4.11
Rot. Bonds2

About [7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol

[7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol (PubChem CID 166359967) has the molecular formula C14H10ClNOS and a molecular weight of 275.76 g/mol. Its IUPAC name is [7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol
PubChem CID166359967
Molecular FormulaC14H10ClNOS
Molecular Weight275.76 g/mol
Exact Mass275.02
IUPAC Name[7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol
SMILESOCc1cc2cccc(-c3ccncc3Cl)c2s1
InChIInChI=1S/C14H10ClNOS/c15-13-7-16-5-4-11(13)12-3-1-2-9-6-10(8-17)18-14(9)12/h1-7,17H,8H2
InChIKeyMLYULSAQJHVZHZ-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-pyridinyl)phenol;ethane
CID 144591018
4-[2-(2-chloro-5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]pyridin-3-ol
CID 86640256
5-(3-chloro-4-pyridinyl)-2-methylquinolin-3-ol
CID 166359968
N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide
CID 67184430
7-pyridin-4-yl-1-benzothiophene-2-sulfonic acid
CID 90740242
3-chloro-4-(2-methoxyphenyl)pyridine
CID 134375392
3-(3-chloro-4-pyridinyl)-1,2,5-thiadiazole
CID 67841078
2,5-dichloro-4-isoquinolin-5-ylphenol
CID 107663326
3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine
CID 174448364
3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide
CID 122133830
[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 66473705
2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol
CID 79770158

Frequently Asked Questions

What is the IUPAC name of [7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol?
The IUPAC name of [7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol (CID 166359967) is [7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol is OCc1cc2cccc(-c3ccncc3Cl)c2s1.
What is the InChIKey of [7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol?
The InChIKey is MLYULSAQJHVZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNOS/c15-13-7-16-5-4-11(13)12-3-1-2-9-6-10(8-17)18-14(9)12/h1-7,17H,8H2.
What are the key properties of [7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol?
[7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol has a molecular weight of 275.76 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-chloro-4-pyridinyl)-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 166359967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).