6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

C9H6F5NO2 — CID 118814694

IUPAC6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1c(C(F)F)ncc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C9H6F5NO2/c1-3-5(9(12,13)14)4(8(16)17)2-15-6(3)7(10)11/h2,7H,1H3,(H,16,17)
InChIKeyAEUNDROIXDIFMK-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.04
Rot. Bonds2

About 6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118814694) has the molecular formula C9H6F5NO2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118814694
Molecular FormulaC9H6F5NO2
Molecular Weight255.14 g/mol
Exact Mass255.03
IUPAC Name6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1c(C(F)F)ncc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C9H6F5NO2/c1-3-5(9(12,13)14)4(8(16)17)2-15-6(3)7(10)11/h2,7H,1H3,(H,16,17)
InChIKeyAEUNDROIXDIFMK-UHFFFAOYSA-N
XLogP3.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118829655
methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate
CID 130086264
6-(difluoromethyl)-4-methyl-5-nitropyridine-3-carboxylic acid
CID 118815166
2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118854325
5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid
CID 130106575
6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803856
2-[5-amino-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671566
5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid
CID 11231809
2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134676275
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
CID 118835162
6-(difluoromethyl)-5-hydroxy-4-methylpyridine-3-carboxamide
CID 130084161
[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826518

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118814694) is 6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1c(C(F)F)ncc(C(=O)O)c1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is AEUNDROIXDIFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO2/c1-3-5(9(12,13)14)4(8(16)17)2-15-6(3)7(10)11/h2,7H,1H3,(H,16,17).
What are the key properties of 6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 255.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118814694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).