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

C14H11ClFNO2 — CID 59377648

IUPACethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c1-2-19-14(18)11-8-17-13(7-12(11)15)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3
InChIKeyLBJOLVDTCNNREM-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.72
Rot. Bonds3

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

ethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate (PubChem CID 59377648) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is ethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate
PubChem CID59377648
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Nameethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c1-2-19-14(18)11-8-17-13(7-12(11)15)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3
InChIKeyLBJOLVDTCNNREM-UHFFFAOYSA-N
XLogP3.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.72
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-(4-fluorophenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate (CID 59377648) is ethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of ethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate?
The InChIKey is LBJOLVDTCNNREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-2-19-14(18)11-8-17-13(7-12(11)15)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate?
ethyl 4-chloro-6-(4-fluorophenyl)pyridine-3-carboxylate has a molecular weight of 279.70 g/mol, XLogP of 3.72, 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-(4-fluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 59377648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).