[5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol

C11H11NOS — CID 164648577

IUPAC[5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol
SMILESOCc1ccc(Cc2ccncc2)s1
InChIInChI=1S/C11H11NOS/c13-8-11-2-1-10(14-11)7-9-3-5-12-6-4-9/h1-6,13H,7-8H2
InChIKeyVNKLYKCPRPJNIX-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.23
Rot. Bonds3

About [5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol

[5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol (PubChem CID 164648577) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is [5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol
PubChem CID164648577
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name[5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol
SMILESOCc1ccc(Cc2ccncc2)s1
InChIInChI=1S/C11H11NOS/c13-8-11-2-1-10(14-11)7-9-3-5-12-6-4-9/h1-6,13H,7-8H2
InChIKeyVNKLYKCPRPJNIX-UHFFFAOYSA-N
XLogP2.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol?
The IUPAC name of [5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol (CID 164648577) is [5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol is OCc1ccc(Cc2ccncc2)s1.
What is the InChIKey of [5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol?
The InChIKey is VNKLYKCPRPJNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c13-8-11-2-1-10(14-11)7-9-3-5-12-6-4-9/h1-6,13H,7-8H2.
What are the key properties of [5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol?
[5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol has a molecular weight of 205.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyridin-4-ylmethyl)thiophen-2-yl]methanol is sourced from PubChem (CID 164648577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).