methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate

C13H9ClF2N2O2 — CID 22677263

IUPACmethyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1F
InChIInChI=1S/C13H9ClF2N2O2/c1-20-13(19)12-9(16)10(17)8(15)11(18-12)6-2-4-7(14)5-3-6/h2-5H,1H3,(H2,17,18)
InChIKeyPDIZBUXKNRDGEV-UHFFFAOYSA-N
MW298.68 g/mol
LogP3.05
Rot. Bonds2

About methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate

methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate (PubChem CID 22677263) has the molecular formula C13H9ClF2N2O2 and a molecular weight of 298.68 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate
PubChem CID22677263
Molecular FormulaC13H9ClF2N2O2
Molecular Weight298.68 g/mol
Exact Mass298.03
IUPAC Namemethyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1F
InChIInChI=1S/C13H9ClF2N2O2/c1-20-13(19)12-9(16)10(17)8(15)11(18-12)6-2-4-7(14)5-3-6/h2-5H,1H3,(H2,17,18)
InChIKeyPDIZBUXKNRDGEV-UHFFFAOYSA-N
XLogP3.05
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 53.05
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)-3,5-difluoropyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate (CID 22677263) is methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1F.
What is the InChIKey of methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate?
The InChIKey is PDIZBUXKNRDGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O2/c1-20-13(19)12-9(16)10(17)8(15)11(18-12)6-2-4-7(14)5-3-6/h2-5H,1H3,(H2,17,18).
What are the key properties of methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate?
methyl 4-amino-6-(4-chlorophenyl)-3,5-difluoropyridine-2-carboxylate has a molecular weight of 298.68 g/mol, XLogP of 3.05, 2 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)-3,5-difluoropyridine-2-carboxylate is sourced from PubChem (CID 22677263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).