4-cyclohexa-2,4-dien-1-ylpyridine

C11H11N — CID 141178072

IUPAC4-cyclohexa-2,4-dien-1-ylpyridine
SMILESC1=CCC(c2ccncc2)C=C1
InChIInChI=1S/C11H11N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-4,6-10H,5H2
InChIKeyBNBYWIGACVAIKB-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.68
Rot. Bonds1

About 4-cyclohexa-2,4-dien-1-ylpyridine

4-cyclohexa-2,4-dien-1-ylpyridine (PubChem CID 141178072) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-ylpyridine.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-ylpyridine
PubChem CID141178072
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name4-cyclohexa-2,4-dien-1-ylpyridine
SMILESC1=CCC(c2ccncc2)C=C1
InChIInChI=1S/C11H11N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-4,6-10H,5H2
InChIKeyBNBYWIGACVAIKB-UHFFFAOYSA-N
XLogP2.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-ylpyridine?
The IUPAC name of 4-cyclohexa-2,4-dien-1-ylpyridine (CID 141178072) is 4-cyclohexa-2,4-dien-1-ylpyridine.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-ylpyridine?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-ylpyridine is C1=CCC(c2ccncc2)C=C1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-ylpyridine?
The InChIKey is BNBYWIGACVAIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-4,6-10H,5H2.
What are the key properties of 4-cyclohexa-2,4-dien-1-ylpyridine?
4-cyclohexa-2,4-dien-1-ylpyridine has a molecular weight of 157.22 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-ylpyridine is sourced from PubChem (CID 141178072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).