(4-pyridin-4-ylthiophen-2-yl)methanol

C10H9NOS — CID 23390223

IUPAC(4-pyridin-4-ylthiophen-2-yl)methanol
SMILESOCc1cc(-c2ccncc2)cs1
InChIInChI=1S/C10H9NOS/c12-6-10-5-9(7-13-10)8-1-3-11-4-2-8/h1-5,7,12H,6H2
InChIKeyMQRGPKNMMNCMQI-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.30
Rot. Bonds2

About (4-pyridin-4-ylthiophen-2-yl)methanol

(4-pyridin-4-ylthiophen-2-yl)methanol (PubChem CID 23390223) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is (4-pyridin-4-ylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-pyridin-4-ylthiophen-2-yl)methanol
PubChem CID23390223
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name(4-pyridin-4-ylthiophen-2-yl)methanol
SMILESOCc1cc(-c2ccncc2)cs1
InChIInChI=1S/C10H9NOS/c12-6-10-5-9(7-13-10)8-1-3-11-4-2-8/h1-5,7,12H,6H2
InChIKeyMQRGPKNMMNCMQI-UHFFFAOYSA-N
XLogP2.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylthiophen-2-yl)methanol?
The IUPAC name of (4-pyridin-4-ylthiophen-2-yl)methanol (CID 23390223) is (4-pyridin-4-ylthiophen-2-yl)methanol.
What is the SMILES notation for (4-pyridin-4-ylthiophen-2-yl)methanol?
The canonical SMILES for (4-pyridin-4-ylthiophen-2-yl)methanol is OCc1cc(-c2ccncc2)cs1.
What is the InChIKey of (4-pyridin-4-ylthiophen-2-yl)methanol?
The InChIKey is MQRGPKNMMNCMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-6-10-5-9(7-13-10)8-1-3-11-4-2-8/h1-5,7,12H,6H2.
What are the key properties of (4-pyridin-4-ylthiophen-2-yl)methanol?
(4-pyridin-4-ylthiophen-2-yl)methanol has a molecular weight of 191.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylthiophen-2-yl)methanol is sourced from PubChem (CID 23390223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).