4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine

C12H8F3N3O2 — CID 59280077

IUPAC4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESNc1cnc(-c2ccccc2C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)8-4-2-1-3-7(8)10-5-11(18(19)20)9(16)6-17-10/h1-6H,16H2
InChIKeyWJUAOTIGCDKFTF-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.26
Rot. Bonds2

About 4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine

4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 59280077) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID59280077
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Name4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESNc1cnc(-c2ccccc2C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)8-4-2-1-3-7(8)10-5-11(18(19)20)9(16)6-17-10/h1-6H,16H2
InChIKeyWJUAOTIGCDKFTF-UHFFFAOYSA-N
XLogP3.26
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.26
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 4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine (CID 59280077) is 4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine is Nc1cnc(-c2ccccc2C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is WJUAOTIGCDKFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)8-4-2-1-3-7(8)10-5-11(18(19)20)9(16)6-17-10/h1-6H,16H2.
What are the key properties of 4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine?
4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 283.21 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-6-[2-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 59280077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).