1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine

C9H12FN — CID 158672040

IUPAC1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine
SMILESC=C1C(F)=CC(C)=CN1CC
InChIInChI=1S/C9H12FN/c1-4-11-6-7(2)5-9(10)8(11)3/h5-6H,3-4H2,1-2H3
InChIKeyVVVABJNPJXGCPR-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.59
Rot. Bonds1

About 1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine

1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine (PubChem CID 158672040) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine
PubChem CID158672040
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine
SMILESC=C1C(F)=CC(C)=CN1CC
InChIInChI=1S/C9H12FN/c1-4-11-6-7(2)5-9(10)8(11)3/h5-6H,3-4H2,1-2H3
InChIKeyVVVABJNPJXGCPR-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(fluoromethyl)-2H-quinolizine
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1-fluoro-4,5,6-trimethyl-2H-pyridine
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1-fluoro-2,4,6-trimethyl-2H-pyridine
CID 87450919
9-(trifluoromethyl)-4H-quinolizine
CID 88314887
9-(fluoromethyl)-4H-quinolizine
CID 88500987
1-(fluoromethyl)-4H-quinolizine
CID 88500989
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
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2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine?
The IUPAC name of 1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine (CID 158672040) is 1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine.
What is the SMILES notation for 1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine?
The canonical SMILES for 1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine is C=C1C(F)=CC(C)=CN1CC.
What is the InChIKey of 1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine?
The InChIKey is VVVABJNPJXGCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-4-11-6-7(2)5-9(10)8(11)3/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine?
1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine has a molecular weight of 153.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-5-methyl-2-methylidenepyridine is sourced from PubChem (CID 158672040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).