methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate

C15H16BrN3O2 — CID 114407264

IUPACmethyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
SMILESCCc1cc(Br)ccc1Nc1nc(C(=O)OC)ccc1N
InChIInChI=1S/C15H16BrN3O2/c1-3-9-8-10(16)4-6-12(9)18-14-11(17)5-7-13(19-14)15(20)21-2/h4-8H,3,17H2,1-2H3,(H,18,19)
InChIKeyDXADIOCFZGEQOD-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.52
Rot. Bonds4

About methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate

methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate (PubChem CID 114407264) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
PubChem CID114407264
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Namemethyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
SMILESCCc1cc(Br)ccc1Nc1nc(C(=O)OC)ccc1N
InChIInChI=1S/C15H16BrN3O2/c1-3-9-8-10(16)4-6-12(9)18-14-11(17)5-7-13(19-14)15(20)21-2/h4-8H,3,17H2,1-2H3,(H,18,19)
InChIKeyDXADIOCFZGEQOD-UHFFFAOYSA-N
XLogP3.52
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide
CID 114407262
methyl 5-amino-6-(2-bromo-4-cyanoanilino)pyridine-2-carboxylate
CID 107793040
methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
CID 107593608
methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
CID 114407006
5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid
CID 114405965
5-amino-6-(2,4-dibromoanilino)pyridine-2-carboxamide
CID 114405827
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
CID 114407384
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate (CID 114407264) is methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate is CCc1cc(Br)ccc1Nc1nc(C(=O)OC)ccc1N.
What is the InChIKey of methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate?
The InChIKey is DXADIOCFZGEQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-3-9-8-10(16)4-6-12(9)18-14-11(17)5-7-13(19-14)15(20)21-2/h4-8H,3,17H2,1-2H3,(H,18,19).
What are the key properties of methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate has a molecular weight of 350.22 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate is sourced from PubChem (CID 114407264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).