2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine

C6H6BrN3O2 — CID 178122513

IUPAC2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine
SMILES[2H]C([2H])([2H])Nc1cc(Br)ncc1[N+](=O)[O-]
InChIInChI=1S/C6H6BrN3O2/c1-8-4-2-6(7)9-3-5(4)10(11)12/h2-3H,1H3,(H,8,9)/i1D3
InChIKeyDVJXGNPUDMVFRQ-FIBGUPNXSA-N
MW235.06 g/mol
LogP1.79
Rot. Bonds3

About 2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine

2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine (PubChem CID 178122513) has the molecular formula C6H6BrN3O2 and a molecular weight of 235.06 g/mol. Its IUPAC name is 2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine
PubChem CID178122513
Molecular FormulaC6H6BrN3O2
Molecular Weight235.06 g/mol
Exact Mass233.98
IUPAC Name2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine
SMILES[2H]C([2H])([2H])Nc1cc(Br)ncc1[N+](=O)[O-]
InChIInChI=1S/C6H6BrN3O2/c1-8-4-2-6(7)9-3-5(4)10(11)12/h2-3H,1H3,(H,8,9)/i1D3
InChIKeyDVJXGNPUDMVFRQ-FIBGUPNXSA-N
XLogP1.79
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 51.79
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

tert-butyl N-(2-bromo-5-nitro-4-pyridinyl)carbamate
CID 155389995
2-bromo-5-nitropyridine-4-carbonitrile
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CID 164551635
CID 164551635
2-bromo-4-(difluoromethyl)-5-nitropyridine
CID 119024108
2-bromo-4-nitro-5-(triazol-2-yl)pyridine
CID 156539643
2-bromo-4-nitro-5-(trideuteriomethoxy)pyridine;2-bromo-5-(trideuteriomethoxy)pyridin-4-amine
CID 164986549
2-bromo-5-nitro-4-piperidin-1-ylpyridine
CID 137390842
6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide
CID 66465119
CID 155702355
CID 155702355
2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine
CID 119013174
5-bromo-N-methyl-2-nitro-4-(trifluoromethyl)aniline
CID 170917565
1-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]butan-2-ol
CID 106749637

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine?
The IUPAC name of 2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine (CID 178122513) is 2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine.
What is the SMILES notation for 2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine?
The canonical SMILES for 2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine is [2H]C([2H])([2H])Nc1cc(Br)ncc1[N+](=O)[O-].
What is the InChIKey of 2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine?
The InChIKey is DVJXGNPUDMVFRQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H6BrN3O2/c1-8-4-2-6(7)9-3-5(4)10(11)12/h2-3H,1H3,(H,8,9)/i1D3.
What are the key properties of 2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine?
2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine has a molecular weight of 235.06 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitro-N-(trideuteriomethyl)pyridin-4-amine is sourced from PubChem (CID 178122513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).