ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate

C14H10ClF2NO2 — CID 59377638

IUPACethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C14H10ClF2NO2/c1-2-20-14(19)11-7-18-13(6-12(11)15)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3
InChIKeyRJLBGDBCYFRNRM-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.86
Rot. Bonds3

About ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate

ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate (PubChem CID 59377638) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate
PubChem CID59377638
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Nameethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C14H10ClF2NO2/c1-2-20-14(19)11-7-18-13(6-12(11)15)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3
InChIKeyRJLBGDBCYFRNRM-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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate (CID 59377638) is ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(-c2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate?
The InChIKey is RJLBGDBCYFRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c1-2-20-14(19)11-7-18-13(6-12(11)15)8-3-9(16)5-10(17)4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate?
ethyl 4-chloro-6-(3,5-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 4-chloro-6-(3,5-difluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 59377638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).