4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile

C11H6F3N3 — CID 152757537

IUPAC4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile
SMILESN#Cc1cc(N)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C11H6F3N3/c12-11(13,14)6-1-2-10-8(3-6)9(16)4-7(5-15)17-10/h1-4H,(H2,16,17)
InChIKeyNPZOHYPPUSFRJW-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.71
Rot. Bonds

About 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile

4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile (PubChem CID 152757537) has the molecular formula C11H6F3N3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile
PubChem CID152757537
Molecular FormulaC11H6F3N3
Molecular Weight237.18 g/mol
Exact Mass237.05
IUPAC Name4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile
SMILESN#Cc1cc(N)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C11H6F3N3/c12-11(13,14)6-1-2-10-8(3-6)9(16)4-7(5-15)17-10/h1-4H,(H2,16,17)
InChIKeyNPZOHYPPUSFRJW-UHFFFAOYSA-N
XLogP2.71
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile 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

4-amino-6-chloroquinoline-2-carbonitrile
CID 84620141
7-(trifluoromethyl)quinoline-2-carbonitrile
CID 75355798
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
6-(trifluoromethyl)phenanthrene-3-carbonitrile
CID 623245
3,4-diamino-6-(trifluoromethyl)quinazolin-2-one
CID 59320586
4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118806171
4-phenyl-6-(trifluoromethyl)quinolin-3-amine
CID 10469344
2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile
CID 156876850
6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130748897
2-fluoro-5-(trifluoromethyl)benzonitrile;5-(trifluoromethyl)-1H-indazol-3-amine
CID 158363969
ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile
CID 155713235
4-amino-5,6-difluoropyridine-2-carbonitrile
CID 70497940

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile?
The IUPAC name of 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile (CID 152757537) is 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile.
What is the SMILES notation for 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile?
The canonical SMILES for 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile is N#Cc1cc(N)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile?
The InChIKey is NPZOHYPPUSFRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3/c12-11(13,14)6-1-2-10-8(3-6)9(16)4-7(5-15)17-10/h1-4H,(H2,16,17).
What are the key properties of 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile?
4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile has a molecular weight of 237.18 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile is sourced from PubChem (CID 152757537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).