2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine

C13H16FN — CID 129014403

IUPAC2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine
SMILESCc1ccc(C2=CCC(C)CC2)nc1F
InChIInChI=1S/C13H16FN/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14)15-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyVCLGHTPEAUJVPH-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.73
Rot. Bonds1

About 2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine

2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine (PubChem CID 129014403) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine
PubChem CID129014403
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine
SMILESCc1ccc(C2=CCC(C)CC2)nc1F
InChIInChI=1S/C13H16FN/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14)15-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyVCLGHTPEAUJVPH-UHFFFAOYSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine?
The IUPAC name of 2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine (CID 129014403) is 2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine.
What is the SMILES notation for 2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine?
The canonical SMILES for 2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine is Cc1ccc(C2=CCC(C)CC2)nc1F.
What is the InChIKey of 2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine?
The InChIKey is VCLGHTPEAUJVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14)15-12/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine?
2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine has a molecular weight of 205.28 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine is sourced from PubChem (CID 129014403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).