6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile

C15H12F3N3O — CID 174777830

IUPAC6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCOc1ccc(CNc2cc(C(F)(F)F)cc(C#N)n2)cc1
InChIInChI=1S/C15H12F3N3O/c1-22-13-4-2-10(3-5-13)9-20-14-7-11(15(16,17)18)6-12(8-19)21-14/h2-7H,9H2,1H3,(H,20,21)
InChIKeyCYLRKQSPHYLXOK-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.59
Rot. Bonds4

About 6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile

6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 174777830) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID174777830
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCOc1ccc(CNc2cc(C(F)(F)F)cc(C#N)n2)cc1
InChIInChI=1S/C15H12F3N3O/c1-22-13-4-2-10(3-5-13)9-20-14-7-11(15(16,17)18)6-12(8-19)21-14/h2-7H,9H2,1H3,(H,20,21)
InChIKeyCYLRKQSPHYLXOK-UHFFFAOYSA-N
XLogP3.59
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine
CID 86657408
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
5-[(4-methoxyphenyl)methylamino]-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 25020034
6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
2-chloro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 142587231
4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 70924868
5-[(4-methoxyphenyl)methylamino]benzene-1,3-dicarbonitrile
CID 174921952
4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
CID 177043715
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 174777830) is 6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile is COc1ccc(CNc2cc(C(F)(F)F)cc(C#N)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is CYLRKQSPHYLXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-22-13-4-2-10(3-5-13)9-20-14-7-11(15(16,17)18)6-12(8-19)21-14/h2-7H,9H2,1H3,(H,20,21).
What are the key properties of 6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile?
6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 307.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 174777830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).