3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine

C7H10FN — CID 161060732

IUPAC3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC=C1NC=C(C)CC1F
InChIInChI=1S/C7H10FN/c1-5-3-7(8)6(2)9-4-5/h4,7,9H,2-3H2,1H3
InChIKeyLRISHLZOCAPGOL-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.74
Rot. Bonds

About 3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine

3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine (PubChem CID 161060732) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine
PubChem CID161060732
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC=C1NC=C(C)CC1F
InChIInChI=1S/C7H10FN/c1-5-3-7(8)6(2)9-4-5/h4,7,9H,2-3H2,1H3
InChIKeyLRISHLZOCAPGOL-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
The IUPAC name of 3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine (CID 161060732) is 3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
The canonical SMILES for 3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine is C=C1NC=C(C)CC1F.
What is the InChIKey of 3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
The InChIKey is LRISHLZOCAPGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-7(8)6(2)9-4-5/h4,7,9H,2-3H2,1H3.
What are the key properties of 3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine?
3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine has a molecular weight of 127.16 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-methylidene-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 161060732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).