4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile

C16H17FN2 — CID 143690972

IUPAC4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile
SMILESCC1=C(C)C(c2ccc(F)c(C)c2)C(C#N)=C(C)N1
InChIInChI=1S/C16H17FN2/c1-9-7-13(5-6-15(9)17)16-10(2)11(3)19-12(4)14(16)8-18/h5-7,16,19H,1-4H3
InChIKeyXLVKYKUXIADBES-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.91
Rot. Bonds1

About 4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile

4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile (PubChem CID 143690972) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile
PubChem CID143690972
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile
SMILESCC1=C(C)C(c2ccc(F)c(C)c2)C(C#N)=C(C)N1
InChIInChI=1S/C16H17FN2/c1-9-7-13(5-6-15(9)17)16-10(2)11(3)19-12(4)14(16)8-18/h5-7,16,19H,1-4H3
InChIKeyXLVKYKUXIADBES-UHFFFAOYSA-N
XLogP3.91
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 2818311
4-(3-bromo-4-fluorophenyl)-2-methyl-7-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile
CID 10133122
4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 4073554
4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile
CID 10109250
2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957253
4-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 4626184
2,6-dimethyl-4-[4-[[2,3,4,5,6-pentakis[[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,4-dihydropyridine-3,5-dicarbonitrile
CID 132602058
4-(6-chloro-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 51057968
4-fluoro-3-methylbenzonitrile
CID 2779180
[4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]methyl acetate
CID 70197006
1,3-bis[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]urea
CID 87760393
2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 141206258

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile (CID 143690972) is 4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile is CC1=C(C)C(c2ccc(F)c(C)c2)C(C#N)=C(C)N1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile?
The InChIKey is XLVKYKUXIADBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-9-7-13(5-6-15(9)17)16-10(2)11(3)19-12(4)14(16)8-18/h5-7,16,19H,1-4H3.
What are the key properties of 4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile?
4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile has a molecular weight of 256.32 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-2,5,6-trimethyl-1,4-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 143690972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).