5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile

C14H11F3N4 — CID 62880770

IUPAC5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3N4/c15-14(16,17)12-4-2-1-3-9(12)7-20-13-10(6-18)5-11(19)8-21-13/h1-5,8H,7,19H2,(H,20,21)
InChIKeyLBRQZJPCJHBRSP-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.17
Rot. Bonds3

About 5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile

5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 62880770) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID62880770
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3N4/c15-14(16,17)12-4-2-1-3-9(12)7-20-13-10(6-18)5-11(19)8-21-13/h1-5,8H,7,19H2,(H,20,21)
InChIKeyLBRQZJPCJHBRSP-UHFFFAOYSA-N
XLogP3.17
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
CID 61299853
2-methylsulfanyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 177309565
2-amino-3-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 104716690
5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
CID 62537909
5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 62995291
5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile
CID 113326752
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80825700
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 62879958
3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 103468304
2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 83077718
5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile
CID 62233190
5-amino-2-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 60922494

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile (CID 62880770) is 5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile is N#Cc1cc(N)cnc1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is LBRQZJPCJHBRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)12-4-2-1-3-9(12)7-20-13-10(6-18)5-11(19)8-21-13/h1-5,8H,7,19H2,(H,20,21).
What are the key properties of 5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 62880770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).