5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine

C9H12FN — CID 123399564

IUPAC5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine
SMILESCC=CC1(C)C=C(F)C=NC1
InChIInChI=1S/C9H12FN/c1-3-4-9(2)5-8(10)6-11-7-9/h3-6H,7H2,1-2H3
InChIKeyIRMGOJDTLRBROK-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.51
Rot. Bonds1

About 5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine

5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine (PubChem CID 123399564) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine
PubChem CID123399564
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine
SMILESCC=CC1(C)C=C(F)C=NC1
InChIInChI=1S/C9H12FN/c1-3-4-9(2)5-8(10)6-11-7-9/h3-6H,7H2,1-2H3
InChIKeyIRMGOJDTLRBROK-UHFFFAOYSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine?
The IUPAC name of 5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine (CID 123399564) is 5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine.
What is the SMILES notation for 5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine?
The canonical SMILES for 5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine is CC=CC1(C)C=C(F)C=NC1.
What is the InChIKey of 5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine?
The InChIKey is IRMGOJDTLRBROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-3-4-9(2)5-8(10)6-11-7-9/h3-6H,7H2,1-2H3.
What are the key properties of 5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine?
5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine has a molecular weight of 153.20 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine is sourced from PubChem (CID 123399564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).