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

C21H18ClFN2O4 — CID 141356818

IUPACmethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OCc1ccccc1
InChIInChI=1S/C21H18ClFN2O4/c1-27-19-14(22)9-8-13(17(19)23)16-10-15(24)20(18(25-16)21(26)28-2)29-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,24,25)
InChIKeyXPSDQHKMZFUNHE-UHFFFAOYSA-N
MW416.84 g/mol
LogP4.50
Rot. Bonds6

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

methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate (PubChem CID 141356818) has the molecular formula C21H18ClFN2O4 and a molecular weight of 416.84 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate
PubChem CID141356818
Molecular FormulaC21H18ClFN2O4
Molecular Weight416.84 g/mol
Exact Mass416.09
IUPAC Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OCc1ccccc1
InChIInChI=1S/C21H18ClFN2O4/c1-27-19-14(22)9-8-13(17(19)23)16-10-15(24)20(18(25-16)21(26)28-2)29-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,24,25)
InChIKeyXPSDQHKMZFUNHE-UHFFFAOYSA-N
XLogP4.50
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate with MolForge

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Related Compounds

Halauxifen-methyl
CID 16656802
Florpyrauxifen-benzyl
CID 70495450
Halauxifen
CID 25181547
2-Pyridinecarboxylic acid, 6-(4-chloro-2-fluoro-3-methoxyphenyl)-4,5-difluoro-, phenylmethyl ester
CID 70496188
2-Pyridinecarboxylic acid, 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-, phenylmethyl ester, hydrochloride (1:1)
CID 134586705
Florpyrauxifen
CID 67420724
Methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropicolinate
CID 57412076
Methyl 4-amino-5-(4-chlorophenyl)-6-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)pyridine-2-carboxylate
CID 135069783
Sodium;7-chloro-3-phenylmethoxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carboxylate
CID 23720670
4-Amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid
CID 25220935
Benzyl 4-amino-3-chloro-6-(4-chloro-3-ethoxy-2-fluorophenyl)-5-fluoropicolinate
CID 57412075
4-Amino-3-chloro-6-(4-chloro-3-ethoxy-2-fluorophenyl)pyridine-2-carboxylic acid
CID 57507745

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate (CID 141356818) is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OCc1ccccc1.
What is the InChIKey of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate?
The InChIKey is XPSDQHKMZFUNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O4/c1-27-19-14(22)9-8-13(17(19)23)16-10-15(24)20(18(25-16)21(26)28-2)29-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,24,25).
What are the key properties of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate?
methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-phenylmethoxypyridine-2-carboxylate has a molecular weight of 416.84 g/mol, XLogP of 4.50, 6 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-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 141356818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).