methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate

C14H10ClF2NO2 — CID 59585041

IUPACmethyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(-c2ccc(C)c(F)c2)nc1Cl
InChIInChI=1S/C14H10ClF2NO2/c1-7-3-4-8(5-10(7)16)12-11(17)6-9(13(15)18-12)14(19)20-2/h3-6H,1-2H3
InChIKeyAWISPGLHHWCMNA-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.78
Rot. Bonds2

About methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate

methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate (PubChem CID 59585041) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate
PubChem CID59585041
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Namemethyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(-c2ccc(C)c(F)c2)nc1Cl
InChIInChI=1S/C14H10ClF2NO2/c1-7-3-4-8(5-10(7)16)12-11(17)6-9(13(15)18-12)14(19)20-2/h3-6H,1-2H3
InChIKeyAWISPGLHHWCMNA-UHFFFAOYSA-N
XLogP3.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.78
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-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 115327916
methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249189
methyl 5-amino-2-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199671
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2-chloro-5-(5-fluoropyrimidin-2-yl)benzoate
CID 167496125
methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
CID 166584197
methyl 6-cyano-5-fluoro-2-(3-fluorophenyl)pyridine-3-carboxylate
CID 66993018
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
CID 134623804
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130074421

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate (CID 59585041) is methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate is COC(=O)c1cc(F)c(-c2ccc(C)c(F)c2)nc1Cl.
What is the InChIKey of methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate?
The InChIKey is AWISPGLHHWCMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c1-7-3-4-8(5-10(7)16)12-11(17)6-9(13(15)18-12)14(19)20-2/h3-6H,1-2H3.
What are the key properties of methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate?
methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate has a molecular weight of 297.69 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 59585041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).