5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid

C8H7BrClNO2 — CID 83668119

IUPAC5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid
SMILESCc1nc(Cl)c(Br)c(C)c1C(=O)O
InChIInChI=1S/C8H7BrClNO2/c1-3-5(8(12)13)4(2)11-7(10)6(3)9/h1-2H3,(H,12,13)
InChIKeyYDOWFUXDKXSLLS-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.81
Rot. Bonds1

About 5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid

5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid (PubChem CID 83668119) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is 5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid
PubChem CID83668119
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Name5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid
SMILESCc1nc(Cl)c(Br)c(C)c1C(=O)O
InChIInChI=1S/C8H7BrClNO2/c1-3-5(8(12)13)4(2)11-7(10)6(3)9/h1-2H3,(H,12,13)
InChIKeyYDOWFUXDKXSLLS-UHFFFAOYSA-N
XLogP2.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid (CID 83668119) is 5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid is Cc1nc(Cl)c(Br)c(C)c1C(=O)O.
What is the InChIKey of 5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid?
The InChIKey is YDOWFUXDKXSLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c1-3-5(8(12)13)4(2)11-7(10)6(3)9/h1-2H3,(H,12,13).
What are the key properties of 5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid?
5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid has a molecular weight of 264.51 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 83668119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).