4-fluoro-4,6-dimethyl-3H-pyridine

C7H10FN — CID 123929608

IUPAC4-fluoro-4,6-dimethyl-3H-pyridine
SMILESCC1=CC(C)(F)CC=N1
InChIInChI=1S/C7H10FN/c1-6-5-7(2,8)3-4-9-6/h4-5H,3H2,1-2H3
InChIKeyKQRQZPSQIFYUQD-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.09
Rot. Bonds

About 4-fluoro-4,6-dimethyl-3H-pyridine

4-fluoro-4,6-dimethyl-3H-pyridine (PubChem CID 123929608) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 4-fluoro-4,6-dimethyl-3H-pyridine.

Molecular Properties

Compound Name4-fluoro-4,6-dimethyl-3H-pyridine
PubChem CID123929608
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name4-fluoro-4,6-dimethyl-3H-pyridine
SMILESCC1=CC(C)(F)CC=N1
InChIInChI=1S/C7H10FN/c1-6-5-7(2,8)3-4-9-6/h4-5H,3H2,1-2H3
InChIKeyKQRQZPSQIFYUQD-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-4,6-dimethyl-3H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-Dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 70320305
3-Fluoro-6-methyl-3,4-dihydropyridine
CID 89071510
6-Methyl-3-(trifluoromethyl)-3,4-dihydropyridine
CID 89130189
3-Methyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 89136331
6-Methyl-4-(trifluoromethyl)-3,4-dihydropyridine
CID 89822863
3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine
CID 89996702
6-(1,1-Difluoroethyl)-3-methyl-3,4-dihydropyridine
CID 91226966
2-Fluoro-6-methyl-3,4-dihydropyridine
CID 117732618
3-Fluoro-4,6-dimethyl-3,4-dihydropyridine
CID 129196332
4-Methyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 135161345
4,6-Dimethyl-3-(trifluoromethyl)-3,4-dihydropyridine
CID 141794085
6-Ethyl-4-fluoro-3,4-dihydropyridine
CID 143491679

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4,6-dimethyl-3H-pyridine?
The IUPAC name of 4-fluoro-4,6-dimethyl-3H-pyridine (CID 123929608) is 4-fluoro-4,6-dimethyl-3H-pyridine.
What is the SMILES notation for 4-fluoro-4,6-dimethyl-3H-pyridine?
The canonical SMILES for 4-fluoro-4,6-dimethyl-3H-pyridine is CC1=CC(C)(F)CC=N1.
What is the InChIKey of 4-fluoro-4,6-dimethyl-3H-pyridine?
The InChIKey is KQRQZPSQIFYUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-6-5-7(2,8)3-4-9-6/h4-5H,3H2,1-2H3.
What are the key properties of 4-fluoro-4,6-dimethyl-3H-pyridine?
4-fluoro-4,6-dimethyl-3H-pyridine has a molecular weight of 127.16 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,6-dimethyl-3H-pyridine is sourced from PubChem (CID 123929608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).