[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine

C7H6BrF2N3O2 — CID 130069724

IUPAC[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
SMILESNCc1cnc(Br)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H6BrF2N3O2/c8-6-4(7(9)10)5(13(14)15)3(1-11)2-12-6/h2,7H,1,11H2
InChIKeyBPIHOEPWEAMACP-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.15
Rot. Bonds3

About [6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine

[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine (PubChem CID 130069724) has the molecular formula C7H6BrF2N3O2 and a molecular weight of 282.04 g/mol. Its IUPAC name is [6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
PubChem CID130069724
Molecular FormulaC7H6BrF2N3O2
Molecular Weight282.04 g/mol
Exact Mass280.96
IUPAC Name[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
SMILESNCc1cnc(Br)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H6BrF2N3O2/c8-6-4(7(9)10)5(13(14)15)3(1-11)2-12-6/h2,7H,1,11H2
InChIKeyBPIHOEPWEAMACP-UHFFFAOYSA-N
XLogP2.15
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 52.15
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

2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
CID 119002402
5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine
CID 119016926
[4-(difluoromethyl)-6-fluoro-5-nitro-3-pyridinyl]methanamine
CID 130081363
2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
CID 119021197
6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130101844
5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070168
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688
[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118848230
5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine
CID 130074711

Frequently Asked Questions

What is the IUPAC name of [6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine?
The IUPAC name of [6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine (CID 130069724) is [6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine.
What is the SMILES notation for [6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine?
The canonical SMILES for [6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine is NCc1cnc(Br)c(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of [6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine?
The InChIKey is BPIHOEPWEAMACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N3O2/c8-6-4(7(9)10)5(13(14)15)3(1-11)2-12-6/h2,7H,1,11H2.
What are the key properties of [6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine?
[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine has a molecular weight of 282.04 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine is sourced from PubChem (CID 130069724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).