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

C8H8BrNO2 — CID 130636897

IUPAC5-bromo-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)cc1Br
InChIInChI=1S/C8H8BrNO2/c1-4-6(8(11)12)3-7(9)5(2)10-4/h3H,1-2H3,(H,11,12)
InChIKeyHCKJIZJPVNYXEF-UHFFFAOYSA-N
MW230.06 g/mol
LogP2.16
Rot. Bonds1

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

5-bromo-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 130636897) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 5-bromo-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID130636897
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name5-bromo-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)cc1Br
InChIInChI=1S/C8H8BrNO2/c1-4-6(8(11)12)3-7(9)5(2)10-4/h3H,1-2H3,(H,11,12)
InChIKeyHCKJIZJPVNYXEF-UHFFFAOYSA-N
XLogP2.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807
3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid
CID 83668907
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
CID 2749573
6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
CID 112562057
methyl 5-bromo-2-methoxy-6-methylpyridine-3-carboxylate
CID 59411423
6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
CID 112692937
3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid
CID 164893881
2-(2-bromo-4-methylphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107915347
5-bromo-2,4-difluoro-3-methylbenzoic acid
CID 59875256
6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 112562051
3-bromo-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 130565190

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2,6-dimethylpyridine-3-carboxylic acid (CID 130636897) is 5-bromo-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2,6-dimethylpyridine-3-carboxylic acid is Cc1nc(C)c(C(=O)O)cc1Br.
What is the InChIKey of 5-bromo-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is HCKJIZJPVNYXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-4-6(8(11)12)3-7(9)5(2)10-4/h3H,1-2H3,(H,11,12).
What are the key properties of 5-bromo-2,6-dimethylpyridine-3-carboxylic acid?
5-bromo-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 230.06 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 130636897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).