phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol

C16H13NOS — CID 4308271

IUPACphenyl-(5-pyridin-2-ylthiophen-2-yl)methanol
SMILESOC(c1ccccc1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C16H13NOS/c18-16(12-6-2-1-3-7-12)15-10-9-14(19-15)13-8-4-5-11-17-13/h1-11,16,18H
InChIKeyVQMIDDYMYHCSJM-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.89
Rot. Bonds3

About phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol

phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol (PubChem CID 4308271) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol.

Molecular Properties

Compound Namephenyl-(5-pyridin-2-ylthiophen-2-yl)methanol
PubChem CID4308271
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Namephenyl-(5-pyridin-2-ylthiophen-2-yl)methanol
SMILESOC(c1ccccc1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C16H13NOS/c18-16(12-6-2-1-3-7-12)15-10-9-14(19-15)13-8-4-5-11-17-13/h1-11,16,18H
InChIKeyVQMIDDYMYHCSJM-UHFFFAOYSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol?
The IUPAC name of phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol (CID 4308271) is phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol.
What is the SMILES notation for phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol?
The canonical SMILES for phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol is OC(c1ccccc1)c1ccc(-c2ccccn2)s1.
What is the InChIKey of phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol?
The InChIKey is VQMIDDYMYHCSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c18-16(12-6-2-1-3-7-12)15-10-9-14(19-15)13-8-4-5-11-17-13/h1-11,16,18H.
What are the key properties of phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol?
phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol has a molecular weight of 267.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-pyridin-2-ylthiophen-2-yl)methanol is sourced from PubChem (CID 4308271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).