methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate

C9H5ClF5NO2 — CID 134674308

IUPACmethyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)(F)F)c(Cl)cc1C(F)F
InChIInChI=1S/C9H5ClF5NO2/c1-18-8(17)5-3(7(11)12)2-4(10)6(16-5)9(13,14)15/h2,7H,1H3
InChIKeyLPLFBADRZYPVGS-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.48
Rot. Bonds2

About methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate

methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 134674308) has the molecular formula C9H5ClF5NO2 and a molecular weight of 289.59 g/mol. Its IUPAC name is methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID134674308
Molecular FormulaC9H5ClF5NO2
Molecular Weight289.59 g/mol
Exact Mass288.99
IUPAC Namemethyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)(F)F)c(Cl)cc1C(F)F
InChIInChI=1S/C9H5ClF5NO2/c1-18-8(17)5-3(7(11)12)2-4(10)6(16-5)9(13,14)15/h2,7H,1H3
InChIKeyLPLFBADRZYPVGS-UHFFFAOYSA-N
XLogP3.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134678273
methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133099603
methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677228
methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106594
methyl 6-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134676245
methyl 3-amino-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134685825
ethyl 5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134684763
methyl 6-bromo-4-chloro-3-(difluoromethyl)pyridine-2-carboxylate
CID 130108301
ethyl 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134672008
methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100734
methyl 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682718
methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 124706094

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate (CID 134674308) is methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1nc(C(F)(F)F)c(Cl)cc1C(F)F.
What is the InChIKey of methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is LPLFBADRZYPVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF5NO2/c1-18-8(17)5-3(7(11)12)2-4(10)6(16-5)9(13,14)15/h2,7H,1H3.
What are the key properties of methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate?
methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 289.59 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134674308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).