3-nitro-5-(trifluoromethyl)pyridin-4-amine

C6H4F3N3O2 — CID 118811335

IUPAC3-nitro-5-(trifluoromethyl)pyridin-4-amine
SMILESNc1c([N+](=O)[O-])cncc1C(F)(F)F
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)3-1-11-2-4(5(3)10)12(13)14/h1-2H,(H2,10,11)
InChIKeyXVUISFUEVABSNS-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.59
Rot. Bonds1

About 3-nitro-5-(trifluoromethyl)pyridin-4-amine

3-nitro-5-(trifluoromethyl)pyridin-4-amine (PubChem CID 118811335) has the molecular formula C6H4F3N3O2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 3-nitro-5-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-nitro-5-(trifluoromethyl)pyridin-4-amine
PubChem CID118811335
Molecular FormulaC6H4F3N3O2
Molecular Weight207.11 g/mol
Exact Mass207.03
IUPAC Name3-nitro-5-(trifluoromethyl)pyridin-4-amine
SMILESNc1c([N+](=O)[O-])cncc1C(F)(F)F
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)3-1-11-2-4(5(3)10)12(13)14/h1-2H,(H2,10,11)
InChIKeyXVUISFUEVABSNS-UHFFFAOYSA-N
XLogP1.59
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.59
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

4-fluoro-3-nitro-5-(trifluoromethyl)pyridine
CID 130927202
2-nitro-6-(trifluoromethyl)aniline
CID 10703457
5-nitro-4-(trifluoromethyl)pyridin-3-ol
CID 131052344
4-nitro-2,5-bis(trifluoromethyl)aniline
CID 121234795
2-bromo-6-nitro-3-(trifluoromethyl)aniline
CID 131372104
4-cyclopropyl-2-nitro-6-(trifluoromethyl)aniline
CID 67363236
3-(2-bromoethyl)-5-nitropyridin-4-amine
CID 91057411
3-nitro-5-propan-2-yloxypyridin-4-amine
CID 130057896
4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130094685
4-fluoro-5-nitro-2-(trifluoromethyl)aniline
CID 131316760
4-bromo-5-nitropyridin-3-amine
CID 130705399
3-chloro-2-methyl-6-nitro-4-(trifluoromethyl)aniline
CID 89226929

Frequently Asked Questions

What is the IUPAC name of 3-nitro-5-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 3-nitro-5-(trifluoromethyl)pyridin-4-amine (CID 118811335) is 3-nitro-5-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 3-nitro-5-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 3-nitro-5-(trifluoromethyl)pyridin-4-amine is Nc1c([N+](=O)[O-])cncc1C(F)(F)F.
What is the InChIKey of 3-nitro-5-(trifluoromethyl)pyridin-4-amine?
The InChIKey is XVUISFUEVABSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O2/c7-6(8,9)3-1-11-2-4(5(3)10)12(13)14/h1-2H,(H2,10,11).
What are the key properties of 3-nitro-5-(trifluoromethyl)pyridin-4-amine?
3-nitro-5-(trifluoromethyl)pyridin-4-amine has a molecular weight of 207.11 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 118811335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).