methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate

C13H8Cl2FNO2 — CID 133090529

IUPACmethyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2c(Cl)cccc2Cl)cnc1F
InChIInChI=1S/C13H8Cl2FNO2/c1-19-13(18)8-5-7(6-17-12(8)16)11-9(14)3-2-4-10(11)15/h2-6H,1H3
InChIKeyGCEHIXDAAHFJTK-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.98
Rot. Bonds2

About methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate

methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate (PubChem CID 133090529) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
PubChem CID133090529
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Namemethyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2c(Cl)cccc2Cl)cnc1F
InChIInChI=1S/C13H8Cl2FNO2/c1-19-13(18)8-5-7(6-17-12(8)16)11-9(14)3-2-4-10(11)15/h2-6H,1H3
InChIKeyGCEHIXDAAHFJTK-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 2-(2,6-dichlorophenyl)-4-fluorobenzoate
CID 119013650
methyl 2-fluoro-5-iodopyridine-3-carboxylate
CID 130882926
methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate
CID 171084326
methyl 2-chloro-5-(5-fluoropyrimidin-2-yl)benzoate
CID 167496125
methyl 2-fluoro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 118704463
methyl 2-chloro-5-(6-methyl-3-pyridinyl)benzoate
CID 58818175
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate
CID 166162954
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133090464

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate?
The IUPAC name of methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate (CID 133090529) is methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate?
The canonical SMILES for methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate is COC(=O)c1cc(-c2c(Cl)cccc2Cl)cnc1F.
What is the InChIKey of methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate?
The InChIKey is GCEHIXDAAHFJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c1-19-13(18)8-5-7(6-17-12(8)16)11-9(14)3-2-4-10(11)15/h2-6H,1H3.
What are the key properties of methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate?
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-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-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate is sourced from PubChem (CID 133090529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).