2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile

C13H8BrN3O3 — CID 103010100

IUPAC2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2cc([N+](=O)[O-])ccc2Br)n1
InChIInChI=1S/C13H8BrN3O3/c1-8-4-9(7-15)5-13(16-8)20-12-6-10(17(18)19)2-3-11(12)14/h2-6H,1H3
InChIKeyRDAUAELVTWYFFV-UHFFFAOYSA-N
MW334.13 g/mol
LogP3.72
Rot. Bonds3

About 2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile

2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile (PubChem CID 103010100) has the molecular formula C13H8BrN3O3 and a molecular weight of 334.13 g/mol. Its IUPAC name is 2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile
PubChem CID103010100
Molecular FormulaC13H8BrN3O3
Molecular Weight334.13 g/mol
Exact Mass332.97
IUPAC Name2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2cc([N+](=O)[O-])ccc2Br)n1
InChIInChI=1S/C13H8BrN3O3/c1-8-4-9(7-15)5-13(16-8)20-12-6-10(17(18)19)2-3-11(12)14/h2-6H,1H3
InChIKeyRDAUAELVTWYFFV-UHFFFAOYSA-N
XLogP3.72
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766888
2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 103483256
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
3-(2-bromo-5-nitrophenoxy)pyrazine-2-carbonitrile
CID 103010082
2-(2-bromo-5-nitrophenoxy)-4-methylpyridine-3-carbonitrile
CID 103010086
2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316
2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile
CID 114769786
6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103013798
2-(2-bromo-5-nitrophenoxy)-5-chlorobenzonitrile
CID 103010062
2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
CID 114769789
2-methyl-6-naphthalen-1-yloxypyridine-4-carbonitrile
CID 114766811
3-bromo-4-(2-methoxy-5-nitrophenoxy)benzonitrile
CID 82785694

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile (CID 103010100) is 2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Oc2cc([N+](=O)[O-])ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
The InChIKey is RDAUAELVTWYFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O3/c1-8-4-9(7-15)5-13(16-8)20-12-6-10(17(18)19)2-3-11(12)14/h2-6H,1H3.
What are the key properties of 2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile has a molecular weight of 334.13 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 103010100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).