ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate

C10H10ClF2NO2 — CID 134669516

IUPACethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(C(F)F)c1Cl
InChIInChI=1S/C10H10ClF2NO2/c1-3-16-10(15)6-4-14-5(2)7(8(6)11)9(12)13/h4,9H,3H2,1-2H3
InChIKeyOPUFWLPUYYELDS-UHFFFAOYSA-N
MW249.64 g/mol
LogP3.16
Rot. Bonds3

About ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate

ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate (PubChem CID 134669516) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
PubChem CID134669516
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Nameethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(C(F)F)c1Cl
InChIInChI=1S/C10H10ClF2NO2/c1-3-16-10(15)6-4-14-5(2)7(8(6)11)9(12)13/h4,9H,3H2,1-2H3
InChIKeyOPUFWLPUYYELDS-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 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671019
ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 134674108
ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
CID 134685203
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
CID 133105223
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 5-chloro-4-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674110
ethyl 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675420
ethyl 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100682
ethyl 6-bromo-5-(bromomethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134667767
ethyl 4-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100691

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate (CID 134669516) is ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate is CCOC(=O)c1cnc(C)c(C(F)F)c1Cl.
What is the InChIKey of ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The InChIKey is OPUFWLPUYYELDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-3-16-10(15)6-4-14-5(2)7(8(6)11)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-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-5-(difluoromethyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 134669516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).