methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate

C9H5F6NO2 — CID 133104062

IUPACmethyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)nc(C(F)F)c1F
InChIInChI=1S/C9H5F6NO2/c1-18-8(17)3-2-4(9(13,14)15)16-6(5(3)10)7(11)12/h2,7H,1H3
InChIKeyKPYMEQGEGHJRHX-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.96
Rot. Bonds2

About methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate

methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 133104062) has the molecular formula C9H5F6NO2 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID133104062
Molecular FormulaC9H5F6NO2
Molecular Weight273.13 g/mol
Exact Mass273.02
IUPAC Namemethyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)nc(C(F)F)c1F
InChIInChI=1S/C9H5F6NO2/c1-18-8(17)3-2-4(9(13,14)15)16-6(5(3)10)7(11)12/h2,7H,1H3
InChIKeyKPYMEQGEGHJRHX-UHFFFAOYSA-N
XLogP2.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133106210
methyl 5-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134664339
methyl 2-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133102502
methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134684977
3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134684920
methyl 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134674827
2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118848647
methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109771
methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134676704
methyl 3-amino-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134685825
ethyl 6-(bromomethyl)-2-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 133104718
methyl 2,6-bis(trifluoromethyl)quinoline-4-carboxylate
CID 125494080

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate (CID 133104062) is methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate is COC(=O)c1cc(C(F)(F)F)nc(C(F)F)c1F.
What is the InChIKey of methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is KPYMEQGEGHJRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO2/c1-18-8(17)3-2-4(9(13,14)15)16-6(5(3)10)7(11)12/h2,7H,1H3.
What are the key properties of methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate?
methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 273.13 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 133104062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).