3-fluoro-4,6-dimethyl-3,4-dihydropyridine

C7H10FN — CID 129196332

IUPAC3-fluoro-4,6-dimethyl-3,4-dihydropyridine
SMILESCC1=CC(C)C(F)C=N1
InChIInChI=1S/C7H10FN/c1-5-3-6(2)9-4-7(5)8/h3-5,7H,1-2H3
InChIKeyODDPSKBRHSWOLO-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.95
Rot. Bonds

About 3-fluoro-4,6-dimethyl-3,4-dihydropyridine

3-fluoro-4,6-dimethyl-3,4-dihydropyridine (PubChem CID 129196332) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-fluoro-4,6-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-4,6-dimethyl-3,4-dihydropyridine
PubChem CID129196332
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-fluoro-4,6-dimethyl-3,4-dihydropyridine
SMILESCC1=CC(C)C(F)C=N1
InChIInChI=1S/C7H10FN/c1-5-3-6(2)9-4-7(5)8/h3-5,7H,1-2H3
InChIKeyODDPSKBRHSWOLO-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4,6-dimethyl-3,4-dihydropyridine?
The IUPAC name of 3-fluoro-4,6-dimethyl-3,4-dihydropyridine (CID 129196332) is 3-fluoro-4,6-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for 3-fluoro-4,6-dimethyl-3,4-dihydropyridine?
The canonical SMILES for 3-fluoro-4,6-dimethyl-3,4-dihydropyridine is CC1=CC(C)C(F)C=N1.
What is the InChIKey of 3-fluoro-4,6-dimethyl-3,4-dihydropyridine?
The InChIKey is ODDPSKBRHSWOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-6(2)9-4-7(5)8/h3-5,7H,1-2H3.
What are the key properties of 3-fluoro-4,6-dimethyl-3,4-dihydropyridine?
3-fluoro-4,6-dimethyl-3,4-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4,6-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 129196332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).