6-bromo-2-methoxypyridine-3-carboxylic acid

C7H6BrNO3 — CID 71303922

IUPAC6-bromo-2-methoxypyridine-3-carboxylic acid
SMILESCOc1nc(Br)ccc1C(=O)O
InChIInChI=1S/C7H6BrNO3/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3H,1H3,(H,10,11)
InChIKeyYMPQUJFCCCPCAF-UHFFFAOYSA-N
MW232.03 g/mol
LogP1.55
Rot. Bonds2

About 6-bromo-2-methoxypyridine-3-carboxylic acid

6-bromo-2-methoxypyridine-3-carboxylic acid (PubChem CID 71303922) has the molecular formula C7H6BrNO3 and a molecular weight of 232.03 g/mol. Its IUPAC name is 6-bromo-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-methoxypyridine-3-carboxylic acid
PubChem CID71303922
Molecular FormulaC7H6BrNO3
Molecular Weight232.03 g/mol
Exact Mass230.95
IUPAC Name6-bromo-2-methoxypyridine-3-carboxylic acid
SMILESCOc1nc(Br)ccc1C(=O)O
InChIInChI=1S/C7H6BrNO3/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3H,1H3,(H,10,11)
InChIKeyYMPQUJFCCCPCAF-UHFFFAOYSA-N
XLogP1.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 51.55
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

2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
6-(dimethoxymethyl)-2-methoxypyridine-3-carboxylic acid
CID 67398889
methyl 2-(6-bromo-2-methoxy-3-pyridinyl)acetate
CID 133098116
2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 79407873
methyl 6-bromo-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028986
(6-bromo-2-methoxy-3-pyridinyl) prop-2-enoate
CID 174669452
7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid
CID 71077241
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
4-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 12829003
methyl 6-bromo-2-formylpyridine-3-carboxylate
CID 112757160
3,4-dibromo-2-methoxybenzoic acid
CID 171002402
6-bromo-8-ethyl-2-methoxyquinoline-3-carboxylic acid
CID 165460384

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-2-methoxypyridine-3-carboxylic acid (CID 71303922) is 6-bromo-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-methoxypyridine-3-carboxylic acid is COc1nc(Br)ccc1C(=O)O.
What is the InChIKey of 6-bromo-2-methoxypyridine-3-carboxylic acid?
The InChIKey is YMPQUJFCCCPCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO3/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3H,1H3,(H,10,11).
What are the key properties of 6-bromo-2-methoxypyridine-3-carboxylic acid?
6-bromo-2-methoxypyridine-3-carboxylic acid has a molecular weight of 232.03 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 71303922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).