ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate

C9H8ClF2NO2 — CID 133088345

IUPACethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)cc1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-2-15-9(14)5-4-13-7(8(11)12)3-6(5)10/h3-4,8H,2H2,1H3
InChIKeyCJONKBSRMWNKKC-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.85
Rot. Bonds3

About ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate

ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 133088345) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
PubChem CID133088345
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Nameethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)cc1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-2-15-9(14)5-4-13-7(8(11)12)3-6(5)10/h3-4,8H,2H2,1H3
InChIKeyCJONKBSRMWNKKC-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 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133091151
ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134682660
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134658831
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethyl 4-chloro-6-nitropyridine-3-carboxylate
CID 133097798
ethyl 6-(1-chloroethyl)-4-methylpyridine-3-carboxylate
CID 175365234
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671019
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate (CID 133088345) is ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(C(F)F)cc1Cl.
What is the InChIKey of ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is CJONKBSRMWNKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-2-15-9(14)5-4-13-7(8(11)12)3-6(5)10/h3-4,8H,2H2,1H3.
What are the key properties of ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate?
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-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 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 133088345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).