4-bromo-6-methylpyridine-2-carboxylic acid

C7H6BrNO2 — CID 53485295

IUPAC4-bromo-6-methylpyridine-2-carboxylic acid
SMILESCc1cc(Br)cc(C(=O)O)n1
InChIInChI=1S/C7H6BrNO2/c1-4-2-5(8)3-6(9-4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyIQFWXNNNXVXOBJ-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.85
Rot. Bonds1

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

4-bromo-6-methylpyridine-2-carboxylic acid (PubChem CID 53485295) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is 4-bromo-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-methylpyridine-2-carboxylic acid
PubChem CID53485295
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name4-bromo-6-methylpyridine-2-carboxylic acid
SMILESCc1cc(Br)cc(C(=O)O)n1
InChIInChI=1S/C7H6BrNO2/c1-4-2-5(8)3-6(9-4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyIQFWXNNNXVXOBJ-UHFFFAOYSA-N
XLogP1.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-bromo-6-methylpyridine-2-carboxylic acid (CID 53485295) is 4-bromo-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-bromo-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-bromo-6-methylpyridine-2-carboxylic acid is Cc1cc(Br)cc(C(=O)O)n1.
What is the InChIKey of 4-bromo-6-methylpyridine-2-carboxylic acid?
The InChIKey is IQFWXNNNXVXOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c1-4-2-5(8)3-6(9-4)7(10)11/h2-3H,1H3,(H,10,11).
What are the key properties of 4-bromo-6-methylpyridine-2-carboxylic acid?
4-bromo-6-methylpyridine-2-carboxylic acid has a molecular weight of 216.03 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 53485295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).