3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine

C12H13N — CID 166648131

IUPAC3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
SMILESCC1C=CC=CC1c1cccnc1
InChIInChI=1S/C12H13N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-10,12H,1H3
InChIKeyGXWREDMJJDREGK-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.93
Rot. Bonds1

About 3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine

3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine (PubChem CID 166648131) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine.

Molecular Properties

Compound Name3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
PubChem CID166648131
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
SMILESCC1C=CC=CC1c1cccnc1
InChIInChI=1S/C12H13N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-10,12H,1H3
InChIKeyGXWREDMJJDREGK-UHFFFAOYSA-N
XLogP2.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(2-bromocyclopropyl)pyridine
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3-[(2S)-aziridin-2-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine?
The IUPAC name of 3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine (CID 166648131) is 3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine.
What is the SMILES notation for 3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine?
The canonical SMILES for 3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine is CC1C=CC=CC1c1cccnc1.
What is the InChIKey of 3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine?
The InChIKey is GXWREDMJJDREGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-10,12H,1H3.
What are the key properties of 3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine?
3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine has a molecular weight of 171.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine is sourced from PubChem (CID 166648131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).