methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate

C13H9Cl3FN3O2 — CID 67974861

IUPACmethyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(Cl)cc(F)c2N)c(Cl)c(N)c1Cl
InChIInChI=1S/C13H9Cl3FN3O2/c1-22-13(21)12-8(16)10(19)7(15)11(20-12)5-2-4(14)3-6(17)9(5)18/h2-3H,18H2,1H3,(H2,19,20)
InChIKeyFNYLZYCLACXRJC-UHFFFAOYSA-N
MW364.59 g/mol
LogP3.80
Rot. Bonds2

About methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate

methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate (PubChem CID 67974861) has the molecular formula C13H9Cl3FN3O2 and a molecular weight of 364.59 g/mol. Its IUPAC name is methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate
PubChem CID67974861
Molecular FormulaC13H9Cl3FN3O2
Molecular Weight364.59 g/mol
Exact Mass362.97
IUPAC Namemethyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(Cl)cc(F)c2N)c(Cl)c(N)c1Cl
InChIInChI=1S/C13H9Cl3FN3O2/c1-22-13(21)12-8(16)10(19)7(15)11(20-12)5-2-4(14)3-6(17)9(5)18/h2-3H,18H2,1H3,(H2,19,20)
InChIKeyFNYLZYCLACXRJC-UHFFFAOYSA-N
XLogP3.80
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate (CID 67974861) is methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate is COC(=O)c1nc(-c2cc(Cl)cc(F)c2N)c(Cl)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate?
The InChIKey is FNYLZYCLACXRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FN3O2/c1-22-13(21)12-8(16)10(19)7(15)11(20-12)5-2-4(14)3-6(17)9(5)18/h2-3H,18H2,1H3,(H2,19,20).
What are the key properties of methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate?
methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate has a molecular weight of 364.59 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate is sourced from PubChem (CID 67974861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).