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

C15H14ClFN2O4 — CID 71150582

IUPACmethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC
InChIInChI=1S/C15H14ClFN2O4/c1-21-13-8(16)5-4-7(11(13)17)10-6-9(18)14(22-2)12(19-10)15(20)23-3/h4-6H,1-3H3,(H2,18,19)
InChIKeyWHCFTSPHRAFLFW-UHFFFAOYSA-N
MW340.74 g/mol
LogP2.93
Rot. Bonds4

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

methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate (PubChem CID 71150582) has the molecular formula C15H14ClFN2O4 and a molecular weight of 340.74 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate
PubChem CID71150582
Molecular FormulaC15H14ClFN2O4
Molecular Weight340.74 g/mol
Exact Mass340.06
IUPAC Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC
InChIInChI=1S/C15H14ClFN2O4/c1-21-13-8(16)5-4-7(11(13)17)10-6-9(18)14(22-2)12(19-10)15(20)23-3/h4-6H,1-3H3,(H2,18,19)
InChIKeyWHCFTSPHRAFLFW-UHFFFAOYSA-N
XLogP2.93
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 52.93
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-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate (CID 71150582) is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC.
What is the InChIKey of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate?
The InChIKey is WHCFTSPHRAFLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4/c1-21-13-8(16)5-4-7(11(13)17)10-6-9(18)14(22-2)12(19-10)15(20)23-3/h4-6H,1-3H3,(H2,18,19).
What are the key properties of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate?
methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methoxypyridine-2-carboxylate has a molecular weight of 340.74 g/mol, XLogP of 2.93, 4 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-methoxypyridine-2-carboxylate is sourced from PubChem (CID 71150582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).