5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine

C6H4BrF2N3O2 — CID 119014971

IUPAC5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
SMILESNc1nc([N+](=O)[O-])c(Br)cc1C(F)F
InChIInChI=1S/C6H4BrF2N3O2/c7-3-1-2(4(8)9)5(10)11-6(3)12(13)14/h1,4H,(H2,10,11)
InChIKeySCNBXQXGLNVRJM-UHFFFAOYSA-N
MW268.02 g/mol
LogP2.27
Rot. Bonds2

About 5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine

5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine (PubChem CID 119014971) has the molecular formula C6H4BrF2N3O2 and a molecular weight of 268.02 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
PubChem CID119014971
Molecular FormulaC6H4BrF2N3O2
Molecular Weight268.02 g/mol
Exact Mass266.95
IUPAC Name5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
SMILESNc1nc([N+](=O)[O-])c(Br)cc1C(F)F
InChIInChI=1S/C6H4BrF2N3O2/c7-3-1-2(4(8)9)5(10)11-6(3)12(13)14/h1,4H,(H2,10,11)
InChIKeySCNBXQXGLNVRJM-UHFFFAOYSA-N
XLogP2.27
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.02
LogP ≤ 52.27
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

6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
3-(difluoromethyl)-6-iodo-5-nitropyridin-2-amine
CID 118997575
5-bromo-3-(difluoromethyl)-6-methylpyridin-2-amine
CID 130101784
methyl 2-[5-bromo-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetate
CID 134670862
4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 119023564
2,6-dibromo-3-(difluoromethyl)-5-nitropyridine
CID 118990338
5-bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118999839

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine?
The IUPAC name of 5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine (CID 119014971) is 5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine is Nc1nc([N+](=O)[O-])c(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine?
The InChIKey is SCNBXQXGLNVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O2/c7-3-1-2(4(8)9)5(10)11-6(3)12(13)14/h1,4H,(H2,10,11).
What are the key properties of 5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine?
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine has a molecular weight of 268.02 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine is sourced from PubChem (CID 119014971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).