3-fluoro-2-methylidene-1-propan-2-ylpyridine

C9H12FN — CID 175639311

IUPAC3-fluoro-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C(F)=CC=CN1C(C)C
InChIInChI=1S/C9H12FN/c1-7(2)11-6-4-5-9(10)8(11)3/h4-7H,3H2,1-2H3
InChIKeyXLISKTKSFSNUIE-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.59
Rot. Bonds1

About 3-fluoro-2-methylidene-1-propan-2-ylpyridine

3-fluoro-2-methylidene-1-propan-2-ylpyridine (PubChem CID 175639311) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 3-fluoro-2-methylidene-1-propan-2-ylpyridine.

Molecular Properties

Compound Name3-fluoro-2-methylidene-1-propan-2-ylpyridine
PubChem CID175639311
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name3-fluoro-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C(F)=CC=CN1C(C)C
InChIInChI=1S/C9H12FN/c1-7(2)11-6-4-5-9(10)8(11)3/h4-7H,3H2,1-2H3
InChIKeyXLISKTKSFSNUIE-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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N-methyl-2-methylidenepyridine
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N-isopropylpyridine
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6-ethenyl-1-methyl-2H-pyridine
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(2Z)-3-fluoro-1-methyl-2-prop-2-enylidenepyridine
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1-(2-fluoroethyl)-2H-pyridine
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3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine
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N-[(E)-2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine
CID 90154146
1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine
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3-fluoro-1-methyl-2H-pyridine
CID 121391418

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylidene-1-propan-2-ylpyridine?
The IUPAC name of 3-fluoro-2-methylidene-1-propan-2-ylpyridine (CID 175639311) is 3-fluoro-2-methylidene-1-propan-2-ylpyridine.
What is the SMILES notation for 3-fluoro-2-methylidene-1-propan-2-ylpyridine?
The canonical SMILES for 3-fluoro-2-methylidene-1-propan-2-ylpyridine is C=C1C(F)=CC=CN1C(C)C.
What is the InChIKey of 3-fluoro-2-methylidene-1-propan-2-ylpyridine?
The InChIKey is XLISKTKSFSNUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-7(2)11-6-4-5-9(10)8(11)3/h4-7H,3H2,1-2H3.
What are the key properties of 3-fluoro-2-methylidene-1-propan-2-ylpyridine?
3-fluoro-2-methylidene-1-propan-2-ylpyridine 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 3-fluoro-2-methylidene-1-propan-2-ylpyridine is sourced from PubChem (CID 175639311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).