3-[4-(5-methylthiophen-2-yl)phenyl]pyridine

C16H13NS — CID 130309277

IUPAC3-[4-(5-methylthiophen-2-yl)phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3cccnc3)cc2)s1
InChIInChI=1S/C16H13NS/c1-12-4-9-16(18-12)14-7-5-13(6-8-14)15-3-2-10-17-11-15/h2-11H,1H3
InChIKeyDLVHTSDXQIFLEX-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.79
Rot. Bonds2

About 3-[4-(5-methylthiophen-2-yl)phenyl]pyridine

3-[4-(5-methylthiophen-2-yl)phenyl]pyridine (PubChem CID 130309277) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[4-(5-methylthiophen-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-(5-methylthiophen-2-yl)phenyl]pyridine
PubChem CID130309277
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name3-[4-(5-methylthiophen-2-yl)phenyl]pyridine
SMILESCc1ccc(-c2ccc(-c3cccnc3)cc2)s1
InChIInChI=1S/C16H13NS/c1-12-4-9-16(18-12)14-7-5-13(6-8-14)15-3-2-10-17-11-15/h2-11H,1H3
InChIKeyDLVHTSDXQIFLEX-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 86232079
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
cyclopenta[c]azepine
CID 638010
3-[3-methyl-5-(4-methylphenyl)phenyl]pyridine
CID 130388822
5-pyridin-3-ylthiophene-2-thiol
CID 164530684
4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 23386720
N-(4-pyridin-3-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-3-ylanilino)phenyl]thiophen-2-yl]phenyl]pyridin-2-amine
CID 122659540
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
3-(5-propylthiophen-2-yl)pyridine
CID 143245944
2-(4-chlorophenyl)-5-methylthiophene
CID 13356220
CID 141390156
CID 141390156

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methylthiophen-2-yl)phenyl]pyridine?
The IUPAC name of 3-[4-(5-methylthiophen-2-yl)phenyl]pyridine (CID 130309277) is 3-[4-(5-methylthiophen-2-yl)phenyl]pyridine.
What is the SMILES notation for 3-[4-(5-methylthiophen-2-yl)phenyl]pyridine?
The canonical SMILES for 3-[4-(5-methylthiophen-2-yl)phenyl]pyridine is Cc1ccc(-c2ccc(-c3cccnc3)cc2)s1.
What is the InChIKey of 3-[4-(5-methylthiophen-2-yl)phenyl]pyridine?
The InChIKey is DLVHTSDXQIFLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-12-4-9-16(18-12)14-7-5-13(6-8-14)15-3-2-10-17-11-15/h2-11H,1H3.
What are the key properties of 3-[4-(5-methylthiophen-2-yl)phenyl]pyridine?
3-[4-(5-methylthiophen-2-yl)phenyl]pyridine has a molecular weight of 251.35 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methylthiophen-2-yl)phenyl]pyridine is sourced from PubChem (CID 130309277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).