6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine

C6H6BrFN2O — CID 171619546

IUPAC6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine
SMILES[2H]C([2H])([2H])Oc1nc(Br)c(F)cc1N
InChIInChI=1S/C6H6BrFN2O/c1-11-6-4(9)2-3(8)5(7)10-6/h2H,9H2,1H3/i1D3
InChIKeyXVSIWQOZDYWBLC-FIBGUPNXSA-N
MW224.05 g/mol
LogP1.57
Rot. Bonds2

About 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine

6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine (PubChem CID 171619546) has the molecular formula C6H6BrFN2O and a molecular weight of 224.05 g/mol. Its IUPAC name is 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine
PubChem CID171619546
Molecular FormulaC6H6BrFN2O
Molecular Weight224.05 g/mol
Exact Mass222.98
IUPAC Name6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine
SMILES[2H]C([2H])([2H])Oc1nc(Br)c(F)cc1N
InChIInChI=1S/C6H6BrFN2O/c1-11-6-4(9)2-3(8)5(7)10-6/h2H,9H2,1H3/i1D3
InChIKeyXVSIWQOZDYWBLC-FIBGUPNXSA-N
XLogP1.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2,6-dimethoxypyridin-3-amine
CID 150134011
6-(difluoromethoxy)-5-fluoro-2-methoxypyridin-3-amine
CID 153376253
propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
CID 141395884
2,6-dimethoxypyridine-3,5-diamine;dihydrochloride
CID 3017019
2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile
CID 170733413
3-amino-6-bromo-5-fluoropyridine-2-carboxamide;azane;methyl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
CID 159313414
3-bromo-5-fluoro-2,4-dimethoxyaniline
CID 84803833
4,6-bis(trideuteriomethoxy)pyrimidin-2-amine
CID 71313201
1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene
CID 102571531
5-bromo-3-fluoro-2-methoxy-6-methylpyridine
CID 52982885
2-bromo-3,5-difluoro-4-methoxyaniline
CID 141136680
6-bromo-5-fluoro-3-(methylsulfanylmethyl)pyridin-2-amine
CID 135318111

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine?
The IUPAC name of 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine (CID 171619546) is 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine.
What is the SMILES notation for 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine?
The canonical SMILES for 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine is [2H]C([2H])([2H])Oc1nc(Br)c(F)cc1N.
What is the InChIKey of 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine?
The InChIKey is XVSIWQOZDYWBLC-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H6BrFN2O/c1-11-6-4(9)2-3(8)5(7)10-6/h2H,9H2,1H3/i1D3.
What are the key properties of 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine?
6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine has a molecular weight of 224.05 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-2-(trideuteriomethoxy)pyridin-3-amine is sourced from PubChem (CID 171619546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).