4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol

C16H13NOS — CID 162651065

IUPAC4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol
SMILESOc1ccc(C(c2ccccn2)c2cccs2)cc1
InChIInChI=1S/C16H13NOS/c18-13-8-6-12(7-9-13)16(15-5-3-11-19-15)14-4-1-2-10-17-14/h1-11,16,18H
InChIKeyBGRGJURZTFHDFD-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.03
Rot. Bonds3

About 4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol

4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol (PubChem CID 162651065) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol
PubChem CID162651065
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol
SMILESOc1ccc(C(c2ccccn2)c2cccs2)cc1
InChIInChI=1S/C16H13NOS/c18-13-8-6-12(7-9-13)16(15-5-3-11-19-15)14-4-1-2-10-17-14/h1-11,16,18H
InChIKeyBGRGJURZTFHDFD-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol?
The IUPAC name of 4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol (CID 162651065) is 4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol.
What is the SMILES notation for 4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol?
The canonical SMILES for 4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol is Oc1ccc(C(c2ccccn2)c2cccs2)cc1.
What is the InChIKey of 4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol?
The InChIKey is BGRGJURZTFHDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c18-13-8-6-12(7-9-13)16(15-5-3-11-19-15)14-4-1-2-10-17-14/h1-11,16,18H.
What are the key properties of 4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol?
4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol has a molecular weight of 267.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[pyridin-2-yl(thiophen-2-yl)methyl]phenol is sourced from PubChem (CID 162651065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).