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

C19H13BrN4O3 — CID 5259286

IUPAC2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(Br)cc1-c1cc(-c2cccc([N+](=O)[O-])c2)nc(N)c1C#N
InChIInChI=1S/C19H13BrN4O3/c1-27-18-6-5-12(20)8-15(18)14-9-17(23-19(22)16(14)10-21)11-3-2-4-13(7-11)24(25)26/h2-9H,1H3,(H2,22,23)
InChIKeyFCFRMORIKNFGRQ-UHFFFAOYSA-N
MW425.24 g/mol
LogP4.55
Rot. Bonds4

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

2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 5259286) has the molecular formula C19H13BrN4O3 and a molecular weight of 425.24 g/mol. Its IUPAC name is 2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
PubChem CID5259286
Molecular FormulaC19H13BrN4O3
Molecular Weight425.24 g/mol
Exact Mass424.02
IUPAC Name2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(Br)cc1-c1cc(-c2cccc([N+](=O)[O-])c2)nc(N)c1C#N
InChIInChI=1S/C19H13BrN4O3/c1-27-18-6-5-12(20)8-15(18)14-9-17(23-19(22)16(14)10-21)11-3-2-4-13(7-11)24(25)26/h2-9H,1H3,(H2,22,23)
InChIKeyFCFRMORIKNFGRQ-UHFFFAOYSA-N
XLogP4.55
TPSA115.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.24
LogP ≤ 54.55
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-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
CID 5229296
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
CID 5229295
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3395715
2-amino-6-(3-fluorophenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5118237
2-amino-6-phenyl-4-(2,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3353886
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5254075

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile (CID 5259286) is 2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile is COc1ccc(Br)cc1-c1cc(-c2cccc([N+](=O)[O-])c2)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is FCFRMORIKNFGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O3/c1-27-18-6-5-12(20)8-15(18)14-9-17(23-19(22)16(14)10-21)11-3-2-4-13(7-11)24(25)26/h2-9H,1H3,(H2,22,23).
What are the key properties of 2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile?
2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 425.24 g/mol, XLogP of 4.55, 4 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-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5259286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).