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

C13H8Cl2FNO2 — CID 133090729

IUPACmethyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2Cl)ncc1F
InChIInChI=1S/C13H8Cl2FNO2/c1-19-13(18)8-5-11(17-6-10(8)16)7-3-2-4-9(14)12(7)15/h2-6H,1H3
InChIKeyUZAVJDLNVQYRMA-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.98
Rot. Bonds2

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

methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate (PubChem CID 133090729) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
PubChem CID133090729
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Namemethyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Cl)c2Cl)ncc1F
InChIInChI=1S/C13H8Cl2FNO2/c1-19-13(18)8-5-11(17-6-10(8)16)7-3-2-4-9(14)12(7)15/h2-6H,1H3
InChIKeyUZAVJDLNVQYRMA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133090464
methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate
CID 119016274
methyl 2-(2,3-dichlorophenyl)-4-fluorobenzoate
CID 134617679
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
methyl 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carboxylate
CID 920393
methyl 5-amino-2-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
CID 133087054
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
CID 133090529
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118852999
methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate
CID 119013650
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
methyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 87026690
methyl 2-fluoro-6-(2,3,4,5,6-pentachlorophenyl)benzoate
CID 134635064

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate?
The IUPAC name of methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate (CID 133090729) is methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate is COC(=O)c1cc(-c2cccc(Cl)c2Cl)ncc1F.
What is the InChIKey of methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate?
The InChIKey is UZAVJDLNVQYRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c1-19-13(18)8-5-11(17-6-10(8)16)7-3-2-4-9(14)12(7)15/h2-6H,1H3.
What are the key properties of methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate?
methyl 2-(2,3-dichlorophenyl)-5-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 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate is sourced from PubChem (CID 133090729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).