3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol

C16H13NOS — CID 57097792

IUPAC3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol
SMILESOc1cccc(Cc2cccnc2)c1-c1cccs1
InChIInChI=1S/C16H13NOS/c18-14-6-1-5-13(10-12-4-2-8-17-11-12)16(14)15-7-3-9-19-15/h1-9,11,18H,10H2
InChIKeyWMGBQBUXRPMHFT-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.11
Rot. Bonds3

About 3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol

3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol (PubChem CID 57097792) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol
PubChem CID57097792
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol
SMILESOc1cccc(Cc2cccnc2)c1-c1cccs1
InChIInChI=1S/C16H13NOS/c18-14-6-1-5-13(10-12-4-2-8-17-11-12)16(14)15-7-3-9-19-15/h1-9,11,18H,10H2
InChIKeyWMGBQBUXRPMHFT-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol
CID 57195541
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one
CID 75201452
2-fluoro-6-(pyridin-3-ylmethyl)aniline
CID 105454246
N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide
CID 141000174
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 116621555
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
2-pyridin-3-ylacetyl chloride
CID 14697475
2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
CID 91764411
2-[[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740840

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol?
The IUPAC name of 3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol (CID 57097792) is 3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol?
The canonical SMILES for 3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol is Oc1cccc(Cc2cccnc2)c1-c1cccs1.
What is the InChIKey of 3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol?
The InChIKey is WMGBQBUXRPMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c18-14-6-1-5-13(10-12-4-2-8-17-11-12)16(14)15-7-3-9-19-15/h1-9,11,18H,10H2.
What are the key properties of 3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol?
3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol has a molecular weight of 267.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethyl)-2-thiophen-2-ylphenol is sourced from PubChem (CID 57097792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).