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

C10H5F5N2O2 — CID 133106205

IUPACmethyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C#N)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C10H5F5N2O2/c1-19-9(18)5-2-4(3-16)17-7(10(13,14)15)6(5)8(11)12/h2,8H,1H3
InChIKeyUIARKZFQPANVMX-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.70
Rot. Bonds2

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

methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 133106205) has the molecular formula C10H5F5N2O2 and a molecular weight of 280.15 g/mol. Its IUPAC name is methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID133106205
Molecular FormulaC10H5F5N2O2
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Namemethyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C#N)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C10H5F5N2O2/c1-19-9(18)5-2-4(3-16)17-7(10(13,14)15)6(5)8(11)12/h2,8H,1H3
InChIKeyUIARKZFQPANVMX-UHFFFAOYSA-N
XLogP2.70
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-cyano-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133106211
methyl 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 133107578
methyl 3-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133106210
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941
methyl 4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133103913
methyl 2-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133102502
methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133101747
ethyl 3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133104053
methyl 5-amino-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134684977
methyl 3-cyano-2-(difluoromethyl)-5-ethylbenzoate
CID 134613776
methyl 6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133100965
methyl 2-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134678273

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate (CID 133106205) is methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate is COC(=O)c1cc(C#N)nc(C(F)(F)F)c1C(F)F.
What is the InChIKey of methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is UIARKZFQPANVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2O2/c1-19-9(18)5-2-4(3-16)17-7(10(13,14)15)6(5)8(11)12/h2,8H,1H3.
What are the key properties of methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate?
methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 280.15 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 133106205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).