2,6-difluoro-5-methylpyridine-3-carboxylic acid

C7H5F2NO2 — CID 21303212

IUPAC2,6-difluoro-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(F)nc1F
InChIInChI=1S/C7H5F2NO2/c1-3-2-4(7(11)12)6(9)10-5(3)8/h2H,1H3,(H,11,12)
InChIKeyPMXLKOJGGOCYII-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.37
Rot. Bonds1

About 2,6-difluoro-5-methylpyridine-3-carboxylic acid

2,6-difluoro-5-methylpyridine-3-carboxylic acid (PubChem CID 21303212) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 2,6-difluoro-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-difluoro-5-methylpyridine-3-carboxylic acid
PubChem CID21303212
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name2,6-difluoro-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(F)nc1F
InChIInChI=1S/C7H5F2NO2/c1-3-2-4(7(11)12)6(9)10-5(3)8/h2H,1H3,(H,11,12)
InChIKeyPMXLKOJGGOCYII-UHFFFAOYSA-N
XLogP1.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.37
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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Related Compounds

3-fluoro-2,4,5-trimethylbenzoic acid
CID 21472508
2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid
CID 151763144
2,3-difluoro-4-hydroxy-5-methylbenzoic acid
CID 141463270
4-amino-3-fluoro-2,5-dimethylbenzoic acid
CID 84768928
6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
CID 118815145
6-(difluoromethyl)-2-fluoro-5-methylpyridine-3-carboxamide
CID 118814860
6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
CID 112692937
3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid
CID 164893881
6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807
CID 162313209
CID 162313209
CID 172631320
CID 172631320
2-fluoro-6-iodopyridine-3-carboxylic acid
CID 130769199

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 2,6-difluoro-5-methylpyridine-3-carboxylic acid (CID 21303212) is 2,6-difluoro-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-difluoro-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2,6-difluoro-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(F)nc1F.
What is the InChIKey of 2,6-difluoro-5-methylpyridine-3-carboxylic acid?
The InChIKey is PMXLKOJGGOCYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c1-3-2-4(7(11)12)6(9)10-5(3)8/h2H,1H3,(H,11,12).
What are the key properties of 2,6-difluoro-5-methylpyridine-3-carboxylic acid?
2,6-difluoro-5-methylpyridine-3-carboxylic acid has a molecular weight of 173.12 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 21303212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).