ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate

C14H10ClF2NO2 — CID 77174619

IUPACethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cl)cnc1-c1ccc(F)cc1F
InChIInChI=1S/C14H10ClF2NO2/c1-2-20-14(19)11-5-8(15)7-18-13(11)10-4-3-9(16)6-12(10)17/h3-7H,2H2,1H3
InChIKeyIGLRLPJXAOPCLY-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.86
Rot. Bonds3

About ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate

ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate (PubChem CID 77174619) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
PubChem CID77174619
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Nameethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cl)cnc1-c1ccc(F)cc1F
InChIInChI=1S/C14H10ClF2NO2/c1-2-20-14(19)11-5-8(15)7-18-13(11)10-4-3-9(16)6-12(10)17/h3-7H,2H2,1H3
InChIKeyIGLRLPJXAOPCLY-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 21062877
ethyl 2-(2-chloro-4-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 102972448
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
CID 134623240
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 115917522
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 67454300
ethyl 2-(2,3-dichlorophenyl)-5-fluorobenzoate
CID 118809533
ethyl 3-(5-chloro-3-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-5-carboxylate
CID 54116858
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate (CID 77174619) is ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate is CCOC(=O)c1cc(Cl)cnc1-c1ccc(F)cc1F.
What is the InChIKey of ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The InChIKey is IGLRLPJXAOPCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c1-2-20-14(19)11-5-8(15)7-18-13(11)10-4-3-9(16)6-12(10)17/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate has a molecular weight of 297.69 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 77174619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).