3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine

C10H11NS — CID 143076345

IUPAC3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine
SMILESCC1CSC=C1c1cccnc1
InChIInChI=1S/C10H11NS/c1-8-6-12-7-10(8)9-3-2-4-11-5-9/h2-5,7-8H,6H2,1H3
InChIKeyRYGYYNQOCWAPBC-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.81
Rot. Bonds1

About 3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine

3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine (PubChem CID 143076345) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine.

Molecular Properties

Compound Name3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine
PubChem CID143076345
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine
SMILESCC1CSC=C1c1cccnc1
InChIInChI=1S/C10H11NS/c1-8-6-12-7-10(8)9-3-2-4-11-5-9/h2-5,7-8H,6H2,1H3
InChIKeyRYGYYNQOCWAPBC-UHFFFAOYSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
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3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole
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2-methyl-4-pyridin-3-yl-1,3-oxazole
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3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine
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5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
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3-(4-pyridin-3-ylthiophen-3-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine?
The IUPAC name of 3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine (CID 143076345) is 3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine.
What is the SMILES notation for 3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine?
The canonical SMILES for 3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine is CC1CSC=C1c1cccnc1.
What is the InChIKey of 3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine?
The InChIKey is RYGYYNQOCWAPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-8-6-12-7-10(8)9-3-2-4-11-5-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine?
3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine has a molecular weight of 177.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2,3-dihydrothiophen-4-yl)pyridine is sourced from PubChem (CID 143076345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).