3-nitro-4-(trifluoromethyl)quinolin-2-amine

C10H6F3N3O2 — CID 19034715

IUPAC3-nitro-4-(trifluoromethyl)quinolin-2-amine
SMILESNc1nc2ccccc2c(C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)7-5-3-1-2-4-6(5)15-9(14)8(7)16(17)18/h1-4H,(H2,14,15)
InChIKeyALHMWQMDSIXDLU-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.74
Rot. Bonds1

About 3-nitro-4-(trifluoromethyl)quinolin-2-amine

3-nitro-4-(trifluoromethyl)quinolin-2-amine (PubChem CID 19034715) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 3-nitro-4-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-nitro-4-(trifluoromethyl)quinolin-2-amine
PubChem CID19034715
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name3-nitro-4-(trifluoromethyl)quinolin-2-amine
SMILESNc1nc2ccccc2c(C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)7-5-3-1-2-4-6(5)15-9(14)8(7)16(17)18/h1-4H,(H2,14,15)
InChIKeyALHMWQMDSIXDLU-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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of 3-nitro-4-(trifluoromethyl)quinolin-2-amine (CID 19034715) is 3-nitro-4-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for 3-nitro-4-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for 3-nitro-4-(trifluoromethyl)quinolin-2-amine is Nc1nc2ccccc2c(C(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 3-nitro-4-(trifluoromethyl)quinolin-2-amine?
The InChIKey is ALHMWQMDSIXDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)7-5-3-1-2-4-6(5)15-9(14)8(7)16(17)18/h1-4H,(H2,14,15).
What are the key properties of 3-nitro-4-(trifluoromethyl)quinolin-2-amine?
3-nitro-4-(trifluoromethyl)quinolin-2-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-4-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 19034715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).