ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate

C10H10ClF2NO2 — CID 134663788

IUPACethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c(C)c(C(F)F)n1
InChIInChI=1S/C10H10ClF2NO2/c1-3-16-10(15)7-4-6(11)5(2)8(14-7)9(12)13/h4,9H,3H2,1-2H3
InChIKeyPWCFOYDIUPOGOM-UHFFFAOYSA-N
MW249.64 g/mol
LogP3.16
Rot. Bonds3

About ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate

ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate (PubChem CID 134663788) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
PubChem CID134663788
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Nameethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c(C)c(C(F)F)n1
InChIInChI=1S/C10H10ClF2NO2/c1-3-16-10(15)7-4-6(11)5(2)8(14-7)9(12)13/h4,9H,3H2,1-2H3
InChIKeyPWCFOYDIUPOGOM-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134662410
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685610
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164
ethyl 5-bromo-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134674811
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134677140
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
ethyl 4-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134677221
ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 133093182
ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134662482
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate (CID 134663788) is ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate is CCOC(=O)c1cc(Cl)c(C)c(C(F)F)n1.
What is the InChIKey of ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate?
The InChIKey is PWCFOYDIUPOGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-3-16-10(15)7-4-6(11)5(2)8(14-7)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate?
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate has a molecular weight of 249.64 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 134663788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).