methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate

C13H8Cl2FNO2 — CID 133090457

IUPACmethyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1cc(F)ncc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2FNO2/c1-19-13(18)9-5-12(16)17-6-10(9)8-3-2-7(14)4-11(8)15/h2-6H,1H3
InChIKeyADZQNLMFZZHNMI-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.98
Rot. Bonds2

About methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate

methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate (PubChem CID 133090457) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
PubChem CID133090457
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Namemethyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1cc(F)ncc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2FNO2/c1-19-13(18)9-5-12(16)17-6-10(9)8-3-2-7(14)4-11(8)15/h2-6H,1H3
InChIKeyADZQNLMFZZHNMI-UHFFFAOYSA-N
XLogP3.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.98
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 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
methyl 2-(2-bromo-5-fluoro-4-pyridinyl)-5-chlorobenzoate
CID 134324029
methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
methyl 4-(4-chloro-2-fluorophenyl)-6-methylpyridine-3-carboxylate
CID 86695958
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
methyl 4-(4-chloro-2-fluorophenyl)pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate
CID 118278250
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636206
methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636667
methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate
CID 172649615
methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
CID 133087385

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate?
The IUPAC name of methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate (CID 133090457) is methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate.
What is the SMILES notation for methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate?
The canonical SMILES for methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate is COC(=O)c1cc(F)ncc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate?
The InChIKey is ADZQNLMFZZHNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c1-19-13(18)9-5-12(16)17-6-10(9)8-3-2-7(14)4-11(8)15/h2-6H,1H3.
What are the key properties of methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate?
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate has a molecular weight of 300.12 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate is sourced from PubChem (CID 133090457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).