3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine

C9H12FN — CID 163749940

IUPAC3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine
SMILESCC1=NCC(C2CC2)C(F)=C1
InChIInChI=1S/C9H12FN/c1-6-4-9(10)8(5-11-6)7-2-3-7/h4,7-8H,2-3,5H2,1H3
InChIKeyLPDGEUSYENZLHZ-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.34
Rot. Bonds1

About 3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine

3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine (PubChem CID 163749940) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine
PubChem CID163749940
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine
SMILESCC1=NCC(C2CC2)C(F)=C1
InChIInChI=1S/C9H12FN/c1-6-4-9(10)8(5-11-6)7-2-3-7/h4,7-8H,2-3,5H2,1H3
InChIKeyLPDGEUSYENZLHZ-UHFFFAOYSA-N
XLogP2.34
TPSA12.36 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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Cyclopropyl-5-fluoro-2,3-dihydropyridine-6-carbonitrile
CID 144168267
3-cyclopropyl-3-fluoro-2H-pyridine
CID 146402086
6-Methyl-3-propyl-2,3-dihydropyridine
CID 90941933
6-Cyclopropyl-4-methyl-2,3-dihydropyridine
CID 123181437
6-Methyl-4-propan-2-yl-2,3-dihydropyridine
CID 123604478
3,6-Dimethyl-2-azabicyclo[5.1.0]octa-2,4-diene
CID 141980911

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine?
The IUPAC name of 3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine (CID 163749940) is 3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine.
What is the SMILES notation for 3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine?
The canonical SMILES for 3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine is CC1=NCC(C2CC2)C(F)=C1.
What is the InChIKey of 3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine?
The InChIKey is LPDGEUSYENZLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-6-4-9(10)8(5-11-6)7-2-3-7/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine?
3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine has a molecular weight of 153.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-fluoro-6-methyl-2,3-dihydropyridine is sourced from PubChem (CID 163749940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).