1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine

C9H10FN — CID 163532444

IUPAC1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine
SMILESC=C(C)C1=CC(=C)N(F)C=C1
InChIInChI=1S/C9H10FN/c1-7(2)9-4-5-11(10)8(3)6-9/h4-6H,1,3H2,2H3
InChIKeyDUCZZDCYKFYGSE-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.72
Rot. Bonds1

About 1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine

1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine (PubChem CID 163532444) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine
PubChem CID163532444
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine
SMILESC=C(C)C1=CC(=C)N(F)C=C1
InChIInChI=1S/C9H10FN/c1-7(2)9-4-5-11(10)8(3)6-9/h4-6H,1,3H2,2H3
InChIKeyDUCZZDCYKFYGSE-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine?
The IUPAC name of 1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine (CID 163532444) is 1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine.
What is the SMILES notation for 1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine?
The canonical SMILES for 1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine is C=C(C)C1=CC(=C)N(F)C=C1.
What is the InChIKey of 1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine?
The InChIKey is DUCZZDCYKFYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-7(2)9-4-5-11(10)8(3)6-9/h4-6H,1,3H2,2H3.
What are the key properties of 1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine?
1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine has a molecular weight of 151.18 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylidene-4-prop-1-en-2-ylpyridine is sourced from PubChem (CID 163532444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).