4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid

C8H6BrNO4 — CID 46941456

IUPAC4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(Br)cc(C(=O)O)n1
InChIInChI=1S/C8H6BrNO4/c1-14-8(13)6-3-4(9)2-5(10-6)7(11)12/h2-3H,1H3,(H,11,12)
InChIKeyQCOHUYJZSNJBBC-UHFFFAOYSA-N
MW260.04 g/mol
LogP1.33
Rot. Bonds2

About 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid

4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid (PubChem CID 46941456) has the molecular formula C8H6BrNO4 and a molecular weight of 260.04 g/mol. Its IUPAC name is 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid
PubChem CID46941456
Molecular FormulaC8H6BrNO4
Molecular Weight260.04 g/mol
Exact Mass258.95
IUPAC Name4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(Br)cc(C(=O)O)n1
InChIInChI=1S/C8H6BrNO4/c1-14-8(13)6-3-4(9)2-5(10-6)7(11)12/h2-3H,1H3,(H,11,12)
InChIKeyQCOHUYJZSNJBBC-UHFFFAOYSA-N
XLogP1.33
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid?
The IUPAC name of 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid (CID 46941456) is 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid?
The canonical SMILES for 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid is COC(=O)c1cc(Br)cc(C(=O)O)n1.
What is the InChIKey of 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid?
The InChIKey is QCOHUYJZSNJBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO4/c1-14-8(13)6-3-4(9)2-5(10-6)7(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid?
4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid has a molecular weight of 260.04 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 46941456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).