3-(5-propylthiophen-2-yl)pyridine

C12H13NS — CID 143245944

IUPAC3-(5-propylthiophen-2-yl)pyridine
SMILESCCCc1ccc(-c2cccnc2)s1
InChIInChI=1S/C12H13NS/c1-2-4-11-6-7-12(14-11)10-5-3-8-13-9-10/h3,5-9H,2,4H2,1H3
InChIKeyXRLXAIHDRGNAEW-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.76
Rot. Bonds3

About 3-(5-propylthiophen-2-yl)pyridine

3-(5-propylthiophen-2-yl)pyridine (PubChem CID 143245944) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-(5-propylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name3-(5-propylthiophen-2-yl)pyridine
PubChem CID143245944
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name3-(5-propylthiophen-2-yl)pyridine
SMILESCCCc1ccc(-c2cccnc2)s1
InChIInChI=1S/C12H13NS/c1-2-4-11-6-7-12(14-11)10-5-3-8-13-9-10/h3,5-9H,2,4H2,1H3
InChIKeyXRLXAIHDRGNAEW-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
CID 139982035
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine
CID 70832725
methanol;4-[(5-pyridin-3-ylthiophen-2-yl)methyl]morpholine
CID 144647017
5-pyridin-3-ylthiophene-2-thiol
CID 164530684
N-ethyl-2-methyl-1-(5-pyridin-3-ylthiophen-2-yl)propan-1-amine
CID 107586196
3-[4-(5-methylthiophen-2-yl)phenyl]pyridine
CID 130309277
5-butyl-2-pyridin-3-yl-1,3-thiazole
CID 67548098
3-(3-propylphenyl)pyridine
CID 69055272
ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
CID 178171856
(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951056

Frequently Asked Questions

What is the IUPAC name of 3-(5-propylthiophen-2-yl)pyridine?
The IUPAC name of 3-(5-propylthiophen-2-yl)pyridine (CID 143245944) is 3-(5-propylthiophen-2-yl)pyridine.
What is the SMILES notation for 3-(5-propylthiophen-2-yl)pyridine?
The canonical SMILES for 3-(5-propylthiophen-2-yl)pyridine is CCCc1ccc(-c2cccnc2)s1.
What is the InChIKey of 3-(5-propylthiophen-2-yl)pyridine?
The InChIKey is XRLXAIHDRGNAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-2-4-11-6-7-12(14-11)10-5-3-8-13-9-10/h3,5-9H,2,4H2,1H3.
What are the key properties of 3-(5-propylthiophen-2-yl)pyridine?
3-(5-propylthiophen-2-yl)pyridine has a molecular weight of 203.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propylthiophen-2-yl)pyridine is sourced from PubChem (CID 143245944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).