2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol

C12H12ClNOS — CID 63839403

IUPAC2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol
SMILESCc1ccnc(C(O)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C12H12ClNOS/c1-8-4-5-14-10(6-8)11(15)7-9-2-3-12(13)16-9/h2-6,11,15H,7H2,1H3
InChIKeyMHNVSYAVHFLGGW-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.38
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol

2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol (PubChem CID 63839403) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol
PubChem CID63839403
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol
SMILESCc1ccnc(C(O)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C12H12ClNOS/c1-8-4-5-14-10(6-8)11(15)7-9-2-3-12(13)16-9/h2-6,11,15H,7H2,1H3
InChIKeyMHNVSYAVHFLGGW-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol (CID 63839403) is 2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol is Cc1ccnc(C(O)Cc2ccc(Cl)s2)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol?
The InChIKey is MHNVSYAVHFLGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-8-4-5-14-10(6-8)11(15)7-9-2-3-12(13)16-9/h2-6,11,15H,7H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol?
2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol has a molecular weight of 253.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(4-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 63839403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).