5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine

C9H12FN — CID 138525147

IUPAC5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine
SMILESC=C1NC=C(F)C=C1C(C)C
InChIInChI=1S/C9H12FN/c1-6(2)9-4-8(10)5-11-7(9)3/h4-6,11H,3H2,1-2H3
InChIKeyIRQBUODKFZDIBS-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.50
Rot. Bonds1

About 5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine

5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine (PubChem CID 138525147) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine.

Molecular Properties

Compound Name5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine
PubChem CID138525147
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine
SMILESC=C1NC=C(F)C=C1C(C)C
InChIInChI=1S/C9H12FN/c1-6(2)9-4-8(10)5-11-7(9)3/h4-6,11H,3H2,1-2H3
InChIKeyIRQBUODKFZDIBS-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
CID 67991642
4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
CID 89357788
5-tert-butyl-3-fluoro-2-methylidene-1H-pyridine
CID 89639548
5-tert-butyl-2-methylidene-3-(trifluoromethyl)-1H-pyridine
CID 89639552
5-fluoro-2-methyl-2,4-dihydro-1H-indole
CID 89846202
N-ethyl-3,5-difluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 118618028
4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine
CID 118657074
1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
CID 123887050
5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
CID 130321083
2-Fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
CID 134243659
(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine
CID 134405604
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine?
The IUPAC name of 5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine (CID 138525147) is 5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine.
What is the SMILES notation for 5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine?
The canonical SMILES for 5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine is C=C1NC=C(F)C=C1C(C)C.
What is the InChIKey of 5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine?
The InChIKey is IRQBUODKFZDIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-6(2)9-4-8(10)5-11-7(9)3/h4-6,11H,3H2,1-2H3.
What are the key properties of 5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine?
5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine has a molecular weight of 153.20 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine is sourced from PubChem (CID 138525147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).