3-amino-6-bromo-2-methoxypyridine-4-carboxamide

C7H8BrN3O2 — CID 171566382

IUPAC3-amino-6-bromo-2-methoxypyridine-4-carboxamide
SMILESCOc1nc(Br)cc(C(N)=O)c1N
InChIInChI=1S/C7H8BrN3O2/c1-13-7-5(9)3(6(10)12)2-4(8)11-7/h2H,9H2,1H3,(H2,10,12)
InChIKeyFTBOKMBCOWBORD-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.53
Rot. Bonds2

About 3-amino-6-bromo-2-methoxypyridine-4-carboxamide

3-amino-6-bromo-2-methoxypyridine-4-carboxamide (PubChem CID 171566382) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 3-amino-6-bromo-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-2-methoxypyridine-4-carboxamide
PubChem CID171566382
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name3-amino-6-bromo-2-methoxypyridine-4-carboxamide
SMILESCOc1nc(Br)cc(C(N)=O)c1N
InChIInChI=1S/C7H8BrN3O2/c1-13-7-5(9)3(6(10)12)2-4(8)11-7/h2H,9H2,1H3,(H2,10,12)
InChIKeyFTBOKMBCOWBORD-UHFFFAOYSA-N
XLogP0.53
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,6-dibromopyridine-4-carboxamide
CID 75539554
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
2-amino-3-bromo-5-methoxy-4-methylbenzamide
CID 172598831
5,6-dimethoxy-2-methylpyridine-3-carboxamide
CID 174786229
6-bromo-2-methoxypyridine-3-carboxylic acid
CID 71303922
2-methoxy-5-methylpyridine-3-carboxamide
CID 123709075
6-bromo-4-(2-hydroxyacetyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 170760120
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
3-amino-4-chloro-6-methoxypyridine-2-carboxamide
CID 170350506
3,5-dibromo-2-methoxybenzamide
CID 28665425
2-amino-5-methoxybenzamide;ethane
CID 142071126
2-(2,6-dimethoxy-3-pyridinyl)benzamide
CID 141074952

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-2-methoxypyridine-4-carboxamide?
The IUPAC name of 3-amino-6-bromo-2-methoxypyridine-4-carboxamide (CID 171566382) is 3-amino-6-bromo-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-2-methoxypyridine-4-carboxamide?
The canonical SMILES for 3-amino-6-bromo-2-methoxypyridine-4-carboxamide is COc1nc(Br)cc(C(N)=O)c1N.
What is the InChIKey of 3-amino-6-bromo-2-methoxypyridine-4-carboxamide?
The InChIKey is FTBOKMBCOWBORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c1-13-7-5(9)3(6(10)12)2-4(8)11-7/h2H,9H2,1H3,(H2,10,12).
What are the key properties of 3-amino-6-bromo-2-methoxypyridine-4-carboxamide?
3-amino-6-bromo-2-methoxypyridine-4-carboxamide has a molecular weight of 246.06 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 171566382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).