6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid

C11H11F4NO2 — CID 165461594

IUPAC6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid
SMILESCCc1cc(C(C)(F)F)nc(C(F)F)c1C(=O)O
InChIInChI=1S/C11H11F4NO2/c1-3-5-4-6(11(2,14)15)16-8(9(12)13)7(5)10(17)18/h4,9H,3H2,1-2H3,(H,17,18)
InChIKeyIOVAOMQJHXETHO-UHFFFAOYSA-N
MW265.21 g/mol
LogP3.39
Rot. Bonds4

About 6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid

6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid (PubChem CID 165461594) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid
PubChem CID165461594
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Name6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid
SMILESCCc1cc(C(C)(F)F)nc(C(F)F)c1C(=O)O
InChIInChI=1S/C11H11F4NO2/c1-3-5-4-6(11(2,14)15)16-8(9(12)13)7(5)10(17)18/h4,9H,3H2,1-2H3,(H,17,18)
InChIKeyIOVAOMQJHXETHO-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118822759
6-[bromo(difluoro)methyl]-2-(difluoromethyl)-4,5-dimethylpyridine-3-carboxylic acid
CID 165455689
6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075642
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803490
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118846701
4-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 130087240
5-[(3,5-ditert-butylphenyl)sulfanylmethyl]-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 90975676
5-(cyanomethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 19813994
3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134684920
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 118822684
4,6-diethylpyridine-2,5-dicarboxylic acid
CID 67650686
6-(difluoromethyl)-5-methoxycarbonyl-4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 88600987

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid?
The IUPAC name of 6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid (CID 165461594) is 6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid is CCc1cc(C(C)(F)F)nc(C(F)F)c1C(=O)O.
What is the InChIKey of 6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid?
The InChIKey is IOVAOMQJHXETHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-3-5-4-6(11(2,14)15)16-8(9(12)13)7(5)10(17)18/h4,9H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid?
6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid has a molecular weight of 265.21 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 165461594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).