4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid

C9H6F5NO2 — CID 118846473

IUPAC4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6F5NO2/c1-3-6(9(12,13)14)4(7(10)11)2-5(15-3)8(16)17/h2,7H,1H3,(H,16,17)
InChIKeyYOHJIOGXSNZATM-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.04
Rot. Bonds2

About 4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid

4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118846473) has the molecular formula C9H6F5NO2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID118846473
Molecular FormulaC9H6F5NO2
Molecular Weight255.14 g/mol
Exact Mass255.03
IUPAC Name4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C9H6F5NO2/c1-3-6(9(12,13)14)4(7(10)11)2-5(15-3)8(16)17/h2,7H,1H3,(H,16,17)
InChIKeyYOHJIOGXSNZATM-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)-6-methyl-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118840954
4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid
CID 118846863
5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134675155
4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118834996
4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid
CID 118852266
4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
CID 118828805
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 118846293
4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carboxamide
CID 118851932
2-[6-chloro-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 119012110
6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118825978
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665188

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 118846473) is 4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid is Cc1nc(C(=O)O)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is YOHJIOGXSNZATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO2/c1-3-6(9(12,13)14)4(7(10)11)2-5(15-3)8(16)17/h2,7H,1H3,(H,16,17).
What are the key properties of 4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-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 4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118846473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).