3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine

C16H16FNO — CID 157160198

IUPAC3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine
SMILESC=CCON1C(=C)C(F)=CC(C)=C1c1ccccc1
InChIInChI=1S/C16H16FNO/c1-4-10-19-18-13(3)15(17)11-12(2)16(18)14-8-6-5-7-9-14/h4-9,11H,1,3,10H2,2H3
InChIKeyAMGYYRQBNHOWDC-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.22
Rot. Bonds4

About 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine

3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine (PubChem CID 157160198) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine
PubChem CID157160198
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine
SMILESC=CCON1C(=C)C(F)=CC(C)=C1c1ccccc1
InChIInChI=1S/C16H16FNO/c1-4-10-19-18-13(3)15(17)11-12(2)16(18)14-8-6-5-7-9-14/h4-9,11H,1,3,10H2,2H3
InChIKeyAMGYYRQBNHOWDC-UHFFFAOYSA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide
CID 2284645
2-(4-Fluorophenyl)-3,5,6-trimethylpyrazine 1,4-dioxide
CID 4114340
2-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide
CID 1553057
(Z)-3-(4,5-dimethyl-3,6-dihydrooxazin-2-yl)-3-phenylprop-2-enenitrile
CID 10490231
N-benzyl-1-phenyl-N-prop-2-enoxymethanamine
CID 19825260
Phenyloxazine
CID 53643691
6-benzylidene-N-butoxy-N-octylcyclohexa-1,3-dien-1-amine
CID 54156813
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923
1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine
CID 57284314
N-ethoxy-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-2-amine
CID 60089768
N-ethoxy-N-[(4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60089769

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine?
The IUPAC name of 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine (CID 157160198) is 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine.
What is the SMILES notation for 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine?
The canonical SMILES for 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine is C=CCON1C(=C)C(F)=CC(C)=C1c1ccccc1.
What is the InChIKey of 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine?
The InChIKey is AMGYYRQBNHOWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-4-10-19-18-13(3)15(17)11-12(2)16(18)14-8-6-5-7-9-14/h4-9,11H,1,3,10H2,2H3.
What are the key properties of 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine?
3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine has a molecular weight of 257.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-prop-2-enoxypyridine is sourced from PubChem (CID 157160198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).