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

C7H4F5N3O3 — CID 118850927

IUPAC2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
SMILESNc1c([N+](=O)[O-])cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C7H4F5N3O3/c8-6(9)4-5(18-7(10,11)12)3(13)2(1-14-4)15(16)17/h1,6H,(H2,13,14)
InChIKeyDQDFQORWQKIGNE-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.41
Rot. Bonds3

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

2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine (PubChem CID 118850927) has the molecular formula C7H4F5N3O3 and a molecular weight of 273.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
PubChem CID118850927
Molecular FormulaC7H4F5N3O3
Molecular Weight273.12 g/mol
Exact Mass273.02
IUPAC Name2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
SMILESNc1c([N+](=O)[O-])cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C7H4F5N3O3/c8-6(9)4-5(18-7(10,11)12)3(13)2(1-14-4)15(16)17/h1,6H,(H2,13,14)
InChIKeyDQDFQORWQKIGNE-UHFFFAOYSA-N
XLogP2.41
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-bromo-2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridine
CID 118816421
2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
CID 134668880
[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
CID 130106938
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
methyl 4-amino-2-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134664428
4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine
CID 118801353
3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 134663914
ethyl 2-[2-methyl-5-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134671389
4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 134661128
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
CID 134659642
4-bromo-2-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 118845681

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine?
The IUPAC name of 2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine (CID 118850927) is 2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine is Nc1c([N+](=O)[O-])cnc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine?
The InChIKey is DQDFQORWQKIGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5N3O3/c8-6(9)4-5(18-7(10,11)12)3(13)2(1-14-4)15(16)17/h1,6H,(H2,13,14).
What are the key properties of 2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine?
2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine has a molecular weight of 273.12 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine is sourced from PubChem (CID 118850927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).