methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate

C15H11ClF2N2O2 — CID 59432141

IUPACmethyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
SMILESC=C(F)c1c(C(=O)OC)nc(-c2ccc(Cl)cc2)c(F)c1N
InChIInChI=1S/C15H11ClF2N2O2/c1-7(17)10-12(19)11(18)13(20-14(10)15(21)22-2)8-3-5-9(16)6-4-8/h3-6H,1H2,2H3,(H2,19,20)
InChIKeyYDJAJSCJKXQUOM-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.85
Rot. Bonds3

About methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate

methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate (PubChem CID 59432141) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
PubChem CID59432141
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC Namemethyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
SMILESC=C(F)c1c(C(=O)OC)nc(-c2ccc(Cl)cc2)c(F)c1N
InChIInChI=1S/C15H11ClF2N2O2/c1-7(17)10-12(19)11(18)13(20-14(10)15(21)22-2)8-3-5-9(16)6-4-8/h3-6H,1H2,2H3,(H2,19,20)
InChIKeyYDJAJSCJKXQUOM-UHFFFAOYSA-N
XLogP3.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-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 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
CID 70498124
methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
CID 144501776
methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
CID 70497567
methyl 6-amino-2-(4-chloro-2-fluoro-3-methoxyphenyl)-5-(1-fluoroethenyl)pyrimidine-4-carboxylate
CID 59432106
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 71175262
methyl 5-bromo-6-(4-chlorophenyl)-3-(trifluoromethyl)pyrazine-2-carboxylate
CID 86634702
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate
CID 90408725
methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
CID 166584197
2-(4-chlorophenyl)-3-fluoro-5-methoxypyridin-4-amine
CID 174787583

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate (CID 59432141) is methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate is C=C(F)c1c(C(=O)OC)nc(-c2ccc(Cl)cc2)c(F)c1N.
What is the InChIKey of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate?
The InChIKey is YDJAJSCJKXQUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c1-7(17)10-12(19)11(18)13(20-14(10)15(21)22-2)8-3-5-9(16)6-4-8/h3-6H,1H2,2H3,(H2,19,20).
What are the key properties of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate?
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate has a molecular weight of 324.71 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate is sourced from PubChem (CID 59432141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).