3-nitro-6-(trifluoromethyl)quinolin-4-amine

C10H6F3N3O2 — CID 126712327

IUPAC3-nitro-6-(trifluoromethyl)quinolin-4-amine
SMILESNc1c([N+](=O)[O-])cnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)5-1-2-7-6(3-5)9(14)8(4-15-7)16(17)18/h1-4H,(H2,14,15)
InChIKeyZGFJSDSWUTZRSU-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.74
Rot. Bonds1

About 3-nitro-6-(trifluoromethyl)quinolin-4-amine

3-nitro-6-(trifluoromethyl)quinolin-4-amine (PubChem CID 126712327) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 3-nitro-6-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name3-nitro-6-(trifluoromethyl)quinolin-4-amine
PubChem CID126712327
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name3-nitro-6-(trifluoromethyl)quinolin-4-amine
SMILESNc1c([N+](=O)[O-])cnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)5-1-2-7-6(3-5)9(14)8(4-15-7)16(17)18/h1-4H,(H2,14,15)
InChIKeyZGFJSDSWUTZRSU-UHFFFAOYSA-N
XLogP2.74
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 118077827
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
1-nitro-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171028704
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
2-nitro-4-phenyl-6-(trifluoromethyl)quinoline
CID 54105073
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
7-(trifluoromethyl)quinolin-3-amine
CID 22326826
3-nitro-5-(trifluoromethyl)pyridin-4-amine
CID 118811335
2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene
CID 171364975
4,7-diamino-6-nitroquinoline-3-carbonitrile
CID 141088251
6-bromo-4-(bromomethyl)-3-nitroquinoline
CID 138454031

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 3-nitro-6-(trifluoromethyl)quinolin-4-amine (CID 126712327) is 3-nitro-6-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 3-nitro-6-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 3-nitro-6-(trifluoromethyl)quinolin-4-amine is Nc1c([N+](=O)[O-])cnc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 3-nitro-6-(trifluoromethyl)quinolin-4-amine?
The InChIKey is ZGFJSDSWUTZRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)5-1-2-7-6(3-5)9(14)8(4-15-7)16(17)18/h1-4H,(H2,14,15).
What are the key properties of 3-nitro-6-(trifluoromethyl)quinolin-4-amine?
3-nitro-6-(trifluoromethyl)quinolin-4-amine has a molecular weight of 257.17 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 126712327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).