methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate

C16H14ClFN2O5 — CID 71150438

IUPACmethyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NC(C)=O)c1O
InChIInChI=1S/C16H14ClFN2O5/c1-7(21)19-11-6-10(20-13(14(11)22)16(23)25-3)8-4-5-9(17)15(24-2)12(8)18/h4-6,22H,1-3H3,(H,19,20,21)
InChIKeyCWERPHOEVXSFSA-UHFFFAOYSA-N
MW368.75 g/mol
LogP3.00
Rot. Bonds4

About methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate

methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate (PubChem CID 71150438) has the molecular formula C16H14ClFN2O5 and a molecular weight of 368.75 g/mol. Its IUPAC name is methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate
PubChem CID71150438
Molecular FormulaC16H14ClFN2O5
Molecular Weight368.75 g/mol
Exact Mass368.06
IUPAC Namemethyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NC(C)=O)c1O
InChIInChI=1S/C16H14ClFN2O5/c1-7(21)19-11-6-10(20-13(14(11)22)16(23)25-3)8-4-5-9(17)15(24-2)12(8)18/h4-6,22H,1-3H3,(H,19,20,21)
InChIKeyCWERPHOEVXSFSA-UHFFFAOYSA-N
XLogP3.00
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.75
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate?
The IUPAC name of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate (CID 71150438) is methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(NC(C)=O)c1O.
What is the InChIKey of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate?
The InChIKey is CWERPHOEVXSFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O5/c1-7(21)19-11-6-10(20-13(14(11)22)16(23)25-3)8-4-5-9(17)15(24-2)12(8)18/h4-6,22H,1-3H3,(H,19,20,21).
What are the key properties of methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate?
methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate has a molecular weight of 368.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 71150438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).