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

C16H13NOS — CID 57195541

IUPAC3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol
SMILESOc1cccc(Cc2cccnc2)c1-c1ccsc1
InChIInChI=1S/C16H13NOS/c18-15-5-1-4-13(9-12-3-2-7-17-10-12)16(15)14-6-8-19-11-14/h1-8,10-11,18H,9H2
InChIKeySPXBMWANHJZJAP-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.11
Rot. Bonds3

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

3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol (PubChem CID 57195541) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol
PubChem CID57195541
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol
SMILESOc1cccc(Cc2cccnc2)c1-c1ccsc1
InChIInChI=1S/C16H13NOS/c18-15-5-1-4-13(9-12-3-2-7-17-10-12)16(15)14-6-8-19-11-14/h1-8,10-11,18H,9H2
InChIKeySPXBMWANHJZJAP-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-2-ylphenol
CID 57097792
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one
CID 75201452
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride
CID 163328741
2-fluoro-6-(pyridin-3-ylmethyl)aniline
CID 105454246
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
CID 171155059
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 58857796
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627965
2-pyridin-3-ylacetyl chloride
CID 14697475

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol?
The IUPAC name of 3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol (CID 57195541) is 3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol?
The canonical SMILES for 3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol is Oc1cccc(Cc2cccnc2)c1-c1ccsc1.
What is the InChIKey of 3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol?
The InChIKey is SPXBMWANHJZJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c18-15-5-1-4-13(9-12-3-2-7-17-10-12)16(15)14-6-8-19-11-14/h1-8,10-11,18H,9H2.
What are the key properties of 3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol?
3-(pyridin-3-ylmethyl)-2-thiophen-3-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-3-ylphenol is sourced from PubChem (CID 57195541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).