1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol

C12H12ClNOS — CID 107361951

IUPAC1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol
SMILESOC(CCc1ccncc1)c1sccc1Cl
InChIInChI=1S/C12H12ClNOS/c13-10-5-8-16-12(10)11(15)2-1-9-3-6-14-7-4-9/h3-8,11,15H,1-2H2
InChIKeyHSRSRPAFBHEWSQ-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.46
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol

1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol (PubChem CID 107361951) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol
PubChem CID107361951
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol
SMILESOC(CCc1ccncc1)c1sccc1Cl
InChIInChI=1S/C12H12ClNOS/c13-10-5-8-16-12(10)11(15)2-1-9-3-6-14-7-4-9/h3-8,11,15H,1-2H2
InChIKeyHSRSRPAFBHEWSQ-UHFFFAOYSA-N
XLogP3.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
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[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropyl]hydrazine
CID 105327947
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
1-(3-chlorothiophen-2-yl)-2-(furan-3-yl)ethanol
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1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789625
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CID 107361953

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol (CID 107361951) is 1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol is OC(CCc1ccncc1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol?
The InChIKey is HSRSRPAFBHEWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c13-10-5-8-16-12(10)11(15)2-1-9-3-6-14-7-4-9/h3-8,11,15H,1-2H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol?
1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol has a molecular weight of 253.75 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 107361951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).