6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine

C6H4BrF2N3O2 — CID 130101844

IUPAC6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
SMILESNc1cnc(Br)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C6H4BrF2N3O2/c7-5-4(12(13)14)3(6(8)9)2(10)1-11-5/h1,6H,10H2
InChIKeySAMPJXKLSRVZQD-UHFFFAOYSA-N
MW268.02 g/mol
LogP2.27
Rot. Bonds2

About 6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine

6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine (PubChem CID 130101844) has the molecular formula C6H4BrF2N3O2 and a molecular weight of 268.02 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
PubChem CID130101844
Molecular FormulaC6H4BrF2N3O2
Molecular Weight268.02 g/mol
Exact Mass266.95
IUPAC Name6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
SMILESNc1cnc(Br)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C6H4BrF2N3O2/c7-5-4(12(13)14)3(6(8)9)2(10)1-11-5/h1,6H,10H2
InChIKeySAMPJXKLSRVZQD-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

4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
CID 130106268
2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
CID 119002402
2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
CID 119021197
[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
CID 130069724
5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
CID 130105870
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-3-nitropyridine
CID 130069731
2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine
CID 118834924
5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980
4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130094685
6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
CID 119007909
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine?
The IUPAC name of 6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine (CID 130101844) is 6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine is Nc1cnc(Br)c([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine?
The InChIKey is SAMPJXKLSRVZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O2/c7-5-4(12(13)14)3(6(8)9)2(10)1-11-5/h1,6H,10H2.
What are the key properties of 6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine?
6-bromo-4-(difluoromethyl)-5-nitropyridin-3-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-4-(difluoromethyl)-5-nitropyridin-3-amine is sourced from PubChem (CID 130101844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).