ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate

C15H10ClFN2O2 — CID 121234334

IUPACethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)nc(Cl)c1C#N
InChIInChI=1S/C15H10ClFN2O2/c1-2-21-15(20)11-7-13(19-14(16)12(11)8-18)9-3-5-10(17)6-4-9/h3-7H,2H2,1H3
InChIKeyAMCXJQCPVIJICQ-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.59
Rot. Bonds3

About ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate

ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate (PubChem CID 121234334) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate
PubChem CID121234334
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Nameethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)nc(Cl)c1C#N
InChIInChI=1S/C15H10ClFN2O2/c1-2-21-15(20)11-7-13(19-14(16)12(11)8-18)9-3-5-10(17)6-4-9/h3-7H,2H2,1H3
InChIKeyAMCXJQCPVIJICQ-UHFFFAOYSA-N
XLogP3.59
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
CID 156896155
ethyl 5-chloro-2-cyano-3-fluorobenzoate
CID 134650913
ethyl 2-(4-fluorophenyl)benzo[h]quinoline-4-carboxylate
CID 135023475
ethyl 2-cyano-3-ethyl-5-fluorobenzoate
CID 134643124
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
CID 134623240
ethyl 3-cyano-2-fluoro-4-iodobenzoate
CID 131532626
ethyl 3-cyano-6-methyl-2-methylsulfanylpyridine-4-carboxylate
CID 2726217
ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 5-chloro-2-cyano-3-sulfanylbenzoate
CID 134650984
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate (CID 121234334) is ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2)nc(Cl)c1C#N.
What is the InChIKey of ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate?
The InChIKey is AMCXJQCPVIJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-2-21-15(20)11-7-13(19-14(16)12(11)8-18)9-3-5-10(17)6-4-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate?
ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate has a molecular weight of 304.71 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-3-cyano-6-(4-fluorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 121234334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).