ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate

C15H14ClFN2O4 — CID 144501785

IUPACethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1O
InChIInChI=1S/C15H14ClFN2O4/c1-3-23-15(21)12-13(20)9(18)6-10(19-12)7-4-5-8(16)14(22-2)11(7)17/h4-6,20H,3H2,1-2H3,(H2,18,19)
InChIKeyXRPQDMWRUZASNC-UHFFFAOYSA-N
MW340.74 g/mol
LogP3.01
Rot. Bonds4

About ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate

ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate (PubChem CID 144501785) has the molecular formula C15H14ClFN2O4 and a molecular weight of 340.74 g/mol. Its IUPAC name is ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate
PubChem CID144501785
Molecular FormulaC15H14ClFN2O4
Molecular Weight340.74 g/mol
Exact Mass340.06
IUPAC Nameethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1O
InChIInChI=1S/C15H14ClFN2O4/c1-3-23-15(21)12-13(20)9(18)6-10(19-12)7-4-5-8(16)14(22-2)11(7)17/h4-6,20H,3H2,1-2H3,(H2,18,19)
InChIKeyXRPQDMWRUZASNC-UHFFFAOYSA-N
XLogP3.01
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate?
The IUPAC name of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate (CID 144501785) is ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1O.
What is the InChIKey of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate?
The InChIKey is XRPQDMWRUZASNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4/c1-3-23-15(21)12-13(20)9(18)6-10(19-12)7-4-5-8(16)14(22-2)11(7)17/h4-6,20H,3H2,1-2H3,(H2,18,19).
What are the key properties of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate?
ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate has a molecular weight of 340.74 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 144501785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).