6-bromo-5-methoxypyridine-3-carboxamide

C7H7BrN2O2 — CID 122362558

IUPAC6-bromo-5-methoxypyridine-3-carboxamide
SMILESCOc1cc(C(N)=O)cnc1Br
InChIInChI=1S/C7H7BrN2O2/c1-12-5-2-4(7(9)11)3-10-6(5)8/h2-3H,1H3,(H2,9,11)
InChIKeyCOLNWHHELVRNNF-UHFFFAOYSA-N
MW231.05 g/mol
LogP0.95
Rot. Bonds2

About 6-bromo-5-methoxypyridine-3-carboxamide

6-bromo-5-methoxypyridine-3-carboxamide (PubChem CID 122362558) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 6-bromo-5-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-5-methoxypyridine-3-carboxamide
PubChem CID122362558
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name6-bromo-5-methoxypyridine-3-carboxamide
SMILESCOc1cc(C(N)=O)cnc1Br
InChIInChI=1S/C7H7BrN2O2/c1-12-5-2-4(7(9)11)3-10-6(5)8/h2-3H,1H3,(H2,9,11)
InChIKeyCOLNWHHELVRNNF-UHFFFAOYSA-N
XLogP0.95
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-5-methoxypyridine-3-carboxamide
CID 176992508
3-bromo-4,5-dimethoxybenzamide
CID 900808
3,5-dimethoxy-4-(trideuteriomethyl)benzamide
CID 175729268
6-(3,4,5-trimethoxyphenoxy)pyridine-3-carboxamide
CID 69475423
6-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 56701713
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 118992492
4-methoxy-6-methylpyridine-3-carboxamide
CID 69278952
4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
CID 61147721
6-(3-amino-4-methoxyphenoxy)pyridine-3-carboxamide
CID 103202001
4-(2-bromoethyl)-3-methoxybenzamide
CID 123699479
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methoxypyridine-3-carboxamide?
The IUPAC name of 6-bromo-5-methoxypyridine-3-carboxamide (CID 122362558) is 6-bromo-5-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-5-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-bromo-5-methoxypyridine-3-carboxamide is COc1cc(C(N)=O)cnc1Br.
What is the InChIKey of 6-bromo-5-methoxypyridine-3-carboxamide?
The InChIKey is COLNWHHELVRNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-12-5-2-4(7(9)11)3-10-6(5)8/h2-3H,1H3,(H2,9,11).
What are the key properties of 6-bromo-5-methoxypyridine-3-carboxamide?
6-bromo-5-methoxypyridine-3-carboxamide has a molecular weight of 231.05 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxypyridine-3-carboxamide is sourced from PubChem (CID 122362558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).