2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile

C20H15BrN4O3 — CID 5229296

IUPAC2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(Br)cc1-c1cc(-c2ccccc2[N+](=O)[O-])nc(N)c1C#N
InChIInChI=1S/C20H15BrN4O3/c1-2-28-19-8-7-12(21)9-15(19)14-10-17(24-20(23)16(14)11-22)13-5-3-4-6-18(13)25(26)27/h3-10H,2H2,1H3,(H2,23,24)
InChIKeyOUZFVWUFWGXDFJ-UHFFFAOYSA-N
MW439.27 g/mol
LogP4.94
Rot. Bonds5

About 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile

2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 5229296) has the molecular formula C20H15BrN4O3 and a molecular weight of 439.27 g/mol. Its IUPAC name is 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
PubChem CID5229296
Molecular FormulaC20H15BrN4O3
Molecular Weight439.27 g/mol
Exact Mass438.03
IUPAC Name2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(Br)cc1-c1cc(-c2ccccc2[N+](=O)[O-])nc(N)c1C#N
InChIInChI=1S/C20H15BrN4O3/c1-2-28-19-8-7-12(21)9-15(19)14-10-17(24-20(23)16(14)11-22)13-5-3-4-6-18(13)25(26)27/h3-10H,2H2,1H3,(H2,23,24)
InChIKeyOUZFVWUFWGXDFJ-UHFFFAOYSA-N
XLogP4.94
TPSA115.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(3-bromo-4-methoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
CID 5229295
2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5259286
2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
CID 10594341
methyl 4-[2-amino-3-cyano-6-(2-nitrophenyl)-4-pyridinyl]benzoate
CID 5229288
2-amino-6-(2,4-dimethylphenyl)-4-(2-ethoxyphenyl)pyridine-3-carbonitrile
CID 3464758
2-amino-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240
2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile
CID 5117890
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317609
2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230675
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5117892

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile (CID 5229296) is 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile is CCOc1ccc(Br)cc1-c1cc(-c2ccccc2[N+](=O)[O-])nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is OUZFVWUFWGXDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3/c1-2-28-19-8-7-12(21)9-15(19)14-10-17(24-20(23)16(14)11-22)13-5-3-4-6-18(13)25(26)27/h3-10H,2H2,1H3,(H2,23,24).
What are the key properties of 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile?
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 439.27 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5229296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).