ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate

C15H15ClFNO2 — CID 144796191

IUPACethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
SMILESCC.COC(=O)c1cc(Cl)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H9ClFNO2.C2H6/c1-18-13(17)9-6-11(16-12(14)7-9)8-2-4-10(15)5-3-8;1-2/h2-7H,1H3;1-2H3
InChIKeyDQFOTGRBPUWJKY-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.35
Rot. Bonds2

About ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate

ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate (PubChem CID 144796191) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
PubChem CID144796191
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Nameethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
SMILESCC.COC(=O)c1cc(Cl)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H9ClFNO2.C2H6/c1-18-13(17)9-6-11(16-12(14)7-9)8-2-4-10(15)5-3-8;1-2/h2-7H,1H3;1-2H3
InChIKeyDQFOTGRBPUWJKY-UHFFFAOYSA-N
XLogP4.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 2-chloro-6-(4-methoxyphenyl)pyridine-4-carboxylate
CID 91873021
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane
CID 144796390
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 133089873
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
methyl 4-[[2-chloro-6-(4-fluorophenoxy)-4-pyridinyl]oxy]benzoate
CID 155783124
(Z)-N-tert-butylsulfanyl-1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanimine
CID 144795550
methyl 3-(6-chloro-3-pyridinyl)-5-fluorobenzoate
CID 142582222

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate?
The IUPAC name of ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate (CID 144796191) is ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate?
The canonical SMILES for ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate is CC.COC(=O)c1cc(Cl)nc(-c2ccc(F)cc2)c1.
What is the InChIKey of ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate?
The InChIKey is DQFOTGRBPUWJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2.C2H6/c1-18-13(17)9-6-11(16-12(14)7-9)8-2-4-10(15)5-3-8;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate?
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate has a molecular weight of 295.74 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 144796191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).