6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine

C6H4BrF2N3O2 — CID 118833688

IUPAC6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
SMILESNc1cc(Br)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H4BrF2N3O2/c7-3-1-2(10)5(12(13)14)4(11-3)6(8)9/h1,6H,(H2,10,11)
InChIKeyKYYRZOKMGAEODD-UHFFFAOYSA-N
MW268.02 g/mol
LogP2.27
Rot. Bonds2

About 6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine

6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine (PubChem CID 118833688) has the molecular formula C6H4BrF2N3O2 and a molecular weight of 268.02 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
PubChem CID118833688
Molecular FormulaC6H4BrF2N3O2
Molecular Weight268.02 g/mol
Exact Mass266.95
IUPAC Name6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
SMILESNc1cc(Br)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H4BrF2N3O2/c7-3-1-2(10)5(12(13)14)4(11-3)6(8)9/h1,6H,(H2,10,11)
InChIKeyKYYRZOKMGAEODD-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 130106838
2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine
CID 118834924
6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 130109420
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069111
4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
CID 118834452
4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine
CID 118816776
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 134663970
[6-bromo-2-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 130069861
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine
CID 130110786

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine?
The IUPAC name of 6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine (CID 118833688) is 6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine.
What is the SMILES notation for 6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine?
The canonical SMILES for 6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine is Nc1cc(Br)nc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine?
The InChIKey is KYYRZOKMGAEODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O2/c7-3-1-2(10)5(12(13)14)4(11-3)6(8)9/h1,6H,(H2,10,11).
What are the key properties of 6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine?
6-bromo-2-(difluoromethyl)-3-nitropyridin-4-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 6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 118833688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).