ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate

C9H8ClF2NO2 — CID 133088342

IUPACethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nccc(C(F)F)c1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-2-15-9(14)7-6(10)5(8(11)12)3-4-13-7/h3-4,8H,2H2,1H3
InChIKeyZUXAARXQEVXBRV-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.85
Rot. Bonds3

About ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate

ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 133088342) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
PubChem CID133088342
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Nameethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nccc(C(F)F)c1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-2-15-9(14)7-6(10)5(8(11)12)3-4-13-7/h3-4,8H,2H2,1H3
InChIKeyZUXAARXQEVXBRV-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134664378
ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088379
ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 134673817
ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
ethyl 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134672008
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134685274
ethyl 3-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 134684919
ethyl 4-chloro-5-(difluoromethyl)-2-methoxypyridine-3-carboxylate
CID 134674054
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate (CID 133088342) is ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1nccc(C(F)F)c1Cl.
What is the InChIKey of ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is ZUXAARXQEVXBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-2-15-9(14)7-6(10)5(8(11)12)3-4-13-7/h3-4,8H,2H2,1H3.
What are the key properties of ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate?
ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate has a molecular weight of 235.62 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 133088342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).