5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine

C7H4F5N3O2 — CID 119012824

IUPAC5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc([N+](=O)[O-])c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H4F5N3O2/c8-4(9)2-1-3(7(10,11)12)5(13)14-6(2)15(16)17/h1,4H,(H2,13,14)
InChIKeyHZKVNWILGTVOKI-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.53
Rot. Bonds2

About 5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine

5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 119012824) has the molecular formula C7H4F5N3O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
PubChem CID119012824
Molecular FormulaC7H4F5N3O2
Molecular Weight257.12 g/mol
Exact Mass257.02
IUPAC Name5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc([N+](=O)[O-])c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H4F5N3O2/c8-4(9)2-1-3(7(10,11)12)5(13)14-6(2)15(16)17/h1,4H,(H2,13,14)
InChIKeyHZKVNWILGTVOKI-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'}

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Related Compounds

3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
CID 133101197
5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 118999966
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 119002293
6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102626
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354
4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
CID 118852034
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818
2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
CID 133102745
[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
CID 130086516

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine (CID 119012824) is 5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine is Nc1nc([N+](=O)[O-])c(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HZKVNWILGTVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5N3O2/c8-4(9)2-1-3(7(10,11)12)5(13)14-6(2)15(16)17/h1,4H,(H2,13,14).
What are the key properties of 5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine?
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-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 5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 119012824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).