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

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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).