methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate

C13H8Cl2FNO2 — CID 133090813

IUPACmethyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(F)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2FNO2/c1-19-13(18)12-10(5-8(16)6-17-12)9-3-2-7(14)4-11(9)15/h2-6H,1H3
InChIKeyPYXVQUUAZLMCTM-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.98
Rot. Bonds2

About methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate

methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate (PubChem CID 133090813) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
PubChem CID133090813
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Namemethyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(F)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2FNO2/c1-19-13(18)12-10(5-8(16)6-17-12)9-3-2-7(14)4-11(9)15/h2-6H,1H3
InChIKeyPYXVQUUAZLMCTM-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

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Related Compounds

methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
3-(2,4-dichlorophenyl)-2,5-difluoropyridine
CID 133090808
methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133089142
methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636546
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902
methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate
CID 133090667
methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
CID 133087385
methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635499

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate (CID 133090813) is methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate is COC(=O)c1ncc(F)cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate?
The InChIKey is PYXVQUUAZLMCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c1-19-13(18)12-10(5-8(16)6-17-12)9-3-2-7(14)4-11(9)15/h2-6H,1H3.
What are the key properties of methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate?
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-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 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 133090813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).