6-fluoro-3,5-dimethyl-3,4-dihydropyridine

C7H10FN — CID 134581916

IUPAC6-fluoro-3,5-dimethyl-3,4-dihydropyridine
SMILESCC1=C(F)N=CC(C)C1
InChIInChI=1S/C7H10FN/c1-5-3-6(2)7(8)9-4-5/h4-5H,3H2,1-2H3
InChIKeyQNRQXNYPGXCMSI-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.30
Rot. Bonds

About 6-fluoro-3,5-dimethyl-3,4-dihydropyridine

6-fluoro-3,5-dimethyl-3,4-dihydropyridine (PubChem CID 134581916) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 6-fluoro-3,5-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-fluoro-3,5-dimethyl-3,4-dihydropyridine
PubChem CID134581916
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name6-fluoro-3,5-dimethyl-3,4-dihydropyridine
SMILESCC1=C(F)N=CC(C)C1
InChIInChI=1S/C7H10FN/c1-5-3-6(2)7(8)9-4-5/h4-5H,3H2,1-2H3
InChIKeyQNRQXNYPGXCMSI-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,5-dimethyl-3,4-dihydropyridine?
The IUPAC name of 6-fluoro-3,5-dimethyl-3,4-dihydropyridine (CID 134581916) is 6-fluoro-3,5-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for 6-fluoro-3,5-dimethyl-3,4-dihydropyridine?
The canonical SMILES for 6-fluoro-3,5-dimethyl-3,4-dihydropyridine is CC1=C(F)N=CC(C)C1.
What is the InChIKey of 6-fluoro-3,5-dimethyl-3,4-dihydropyridine?
The InChIKey is QNRQXNYPGXCMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-6(2)7(8)9-4-5/h4-5H,3H2,1-2H3.
What are the key properties of 6-fluoro-3,5-dimethyl-3,4-dihydropyridine?
6-fluoro-3,5-dimethyl-3,4-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,5-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 134581916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).