3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid

C8H6BrF2NO2 — CID 130069422

IUPAC3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(Br)cc1C(F)F
InChIInChI=1S/C8H6BrF2NO2/c1-3-4(7(10)11)2-5(9)6(12-3)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyGBLCXWXBTMAWRE-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.79
Rot. Bonds2

About 3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid

3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid (PubChem CID 130069422) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
PubChem CID130069422
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Name3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(Br)cc1C(F)F
InChIInChI=1S/C8H6BrF2NO2/c1-3-4(7(10)11)2-5(9)6(12-3)8(13)14/h2,7H,1H3,(H,13,14)
InChIKeyGBLCXWXBTMAWRE-UHFFFAOYSA-N
XLogP2.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
CID 119025298
ethyl 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134674901
5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride
CID 133099566
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130069428
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130068422
4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
CID 130088350
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118845283
5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674275

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid (CID 130069422) is 3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid is Cc1nc(C(=O)O)c(Br)cc1C(F)F.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
The InChIKey is GBLCXWXBTMAWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c1-3-4(7(10)11)2-5(9)6(12-3)8(13)14/h2,7H,1H3,(H,13,14).
What are the key properties of 3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid has a molecular weight of 266.04 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 130069422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).