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

C7H4F5N3O2 — CID 134668880

IUPAC2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(C(F)F)ncc([N+](=O)[O-])c1C(F)(F)F
InChIInChI=1S/C7H4F5N3O2/c8-6(9)5-4(13)3(7(10,11)12)2(1-14-5)15(16)17/h1,6H,13H2
InChIKeyWTSUGRBVYATLOD-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.53
Rot. Bonds2

About 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine

2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine (PubChem CID 134668880) has the molecular formula C7H4F5N3O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
PubChem CID134668880
Molecular FormulaC7H4F5N3O2
Molecular Weight257.12 g/mol
Exact Mass257.02
IUPAC Name2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(C(F)F)ncc([N+](=O)[O-])c1C(F)(F)F
InChIInChI=1S/C7H4F5N3O2/c8-6(9)5-4(13)3(7(10,11)12)2(1-14-5)15(16)17/h1,6H,13H2
InChIKeyWTSUGRBVYATLOD-UHFFFAOYSA-N
XLogP2.53
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.53
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'}

Analyze 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine 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-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 134661128
[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
CID 130106938
2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-4-carboxamide
CID 118854512
2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
CID 118850927
2-[2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118809433
3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 134663914
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
2-[5-amino-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671566
3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
CID 133099445
methyl 4-amino-2-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134664428
5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridin-2-amine
CID 119000759
2-[4-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118835156

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine (CID 134668880) is 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine is Nc1c(C(F)F)ncc([N+](=O)[O-])c1C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine?
The InChIKey is WTSUGRBVYATLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5N3O2/c8-6(9)5-4(13)3(7(10,11)12)2(1-14-5)15(16)17/h1,6H,13H2.
What are the key properties of 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine?
2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine has a molecular weight of 257.12 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 134668880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).