4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile

C15H15FN2 — CID 123453252

IUPAC4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2ccc(F)cc2)C1C
InChIInChI=1S/C15H15FN2/c1-9-10(2)18-11(3)14(8-17)15(9)12-4-6-13(16)7-5-12/h4-7,9,15H,1-3H3
InChIKeyBQWXMDMVVSKXAJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.82
Rot. Bonds1

About 4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile

4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile (PubChem CID 123453252) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile
PubChem CID123453252
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2ccc(F)cc2)C1C
InChIInChI=1S/C15H15FN2/c1-9-10(2)18-11(3)14(8-17)15(9)12-4-6-13(16)7-5-12/h4-7,9,15H,1-3H3
InChIKeyBQWXMDMVVSKXAJ-UHFFFAOYSA-N
XLogP3.82
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile (CID 123453252) is 4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile is CC1=NC(C)=C(C#N)C(c2ccc(F)cc2)C1C.
What is the InChIKey of 4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile?
The InChIKey is BQWXMDMVVSKXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-9-10(2)18-11(3)14(8-17)15(9)12-4-6-13(16)7-5-12/h4-7,9,15H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile?
4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile has a molecular weight of 242.30 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,3,6-trimethyl-3,4-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 123453252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).