methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate

C14H10Cl2F2N2O3 — CID 57412076

IUPACmethyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1Cl
InChIInChI=1S/C14H10Cl2F2N2O3/c1-22-13-6(15)4-3-5(8(13)17)11-9(18)10(19)7(16)12(20-11)14(21)23-2/h3-4H,1-2H3,(H2,19,20)
InChIKeyPZSVMKWRONODDG-UHFFFAOYSA-N
MW363.15 g/mol
LogP3.71
Rot. Bonds3

About methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate (PubChem CID 57412076) has the molecular formula C14H10Cl2F2N2O3 and a molecular weight of 363.15 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate
PubChem CID57412076
Molecular FormulaC14H10Cl2F2N2O3
Molecular Weight363.15 g/mol
Exact Mass362.00
IUPAC Namemethyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1Cl
InChIInChI=1S/C14H10Cl2F2N2O3/c1-22-13-6(15)4-3-5(8(13)17)11-9(18)10(19)7(16)12(20-11)14(21)23-2/h3-4H,1-2H3,(H2,19,20)
InChIKeyPZSVMKWRONODDG-UHFFFAOYSA-N
XLogP3.71
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate (CID 57412076) is methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate?
The InChIKey is PZSVMKWRONODDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O3/c1-22-13-6(15)4-3-5(8(13)17)11-9(18)10(19)7(16)12(20-11)14(21)23-2/h3-4H,1-2H3,(H2,19,20).
What are the key properties of methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate has a molecular weight of 363.15 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 57412076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).