methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate

C15H12ClF3N2O4 — CID 71175250

IUPACmethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F
InChIInChI=1S/C15H12ClF3N2O4/c1-23-12-7(16)4-3-6(10(12)17)9-5-8(20)13(25-15(18)19)11(21-9)14(22)24-2/h3-5,15H,1-2H3,(H2,20,21)
InChIKeyYMYUGMIBCFMICK-UHFFFAOYSA-N
MW376.72 g/mol
LogP3.52
Rot. Bonds5

About methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate

methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate (PubChem CID 71175250) has the molecular formula C15H12ClF3N2O4 and a molecular weight of 376.72 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate
PubChem CID71175250
Molecular FormulaC15H12ClF3N2O4
Molecular Weight376.72 g/mol
Exact Mass376.04
IUPAC Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F
InChIInChI=1S/C15H12ClF3N2O4/c1-23-12-7(16)4-3-6(10(12)17)9-5-8(20)13(25-15(18)19)11(21-9)14(22)24-2/h3-5,15H,1-2H3,(H2,20,21)
InChIKeyYMYUGMIBCFMICK-UHFFFAOYSA-N
XLogP3.52
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate (CID 71175250) is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F.
What is the InChIKey of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate?
The InChIKey is YMYUGMIBCFMICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O4/c1-23-12-7(16)4-3-6(10(12)17)9-5-8(20)13(25-15(18)19)11(21-9)14(22)24-2/h3-5,15H,1-2H3,(H2,20,21).
What are the key properties of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate?
methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate has a molecular weight of 376.72 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 71175250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).