4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine

C12H16FN — CID 144782670

IUPAC4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
SMILESC=C1C=C(F)C=CN1/C(C)=C(\C)CC
InChIInChI=1S/C12H16FN/c1-5-9(2)11(4)14-7-6-12(13)8-10(14)3/h6-8H,3,5H2,1-2,4H3/b11-9+
InChIKeyCTCFLQHUUSPDPE-PKNBQFBNSA-N
MW193.26 g/mol
LogP3.89
Rot. Bonds2

About 4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine

4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine (PubChem CID 144782670) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine.

Molecular Properties

Compound Name4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
PubChem CID144782670
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
SMILESC=C1C=C(F)C=CN1/C(C)=C(\C)CC
InChIInChI=1S/C12H16FN/c1-5-9(2)11(4)14-7-6-12(13)8-10(14)3/h6-8H,3,5H2,1-2,4H3/b11-9+
InChIKeyCTCFLQHUUSPDPE-PKNBQFBNSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The IUPAC name of 4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine (CID 144782670) is 4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine.
What is the SMILES notation for 4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The canonical SMILES for 4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine is C=C1C=C(F)C=CN1/C(C)=C(\C)CC.
What is the InChIKey of 4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The InChIKey is CTCFLQHUUSPDPE-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H16FN/c1-5-9(2)11(4)14-7-6-12(13)8-10(14)3/h6-8H,3,5H2,1-2,4H3/b11-9+.
What are the key properties of 4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine has a molecular weight of 193.26 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine is sourced from PubChem (CID 144782670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).