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

C13H7BrFN3O3 — CID 103483256

IUPAC2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2cc(F)c(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H7BrFN3O3/c1-7-2-8(6-16)3-13(17-7)21-12-5-10(15)9(14)4-11(12)18(19)20/h2-5H,1H3
InChIKeyUHFGBSHJTRHQLS-UHFFFAOYSA-N
MW352.12 g/mol
LogP3.86
Rot. Bonds3

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

2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile (PubChem CID 103483256) has the molecular formula C13H7BrFN3O3 and a molecular weight of 352.12 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile
PubChem CID103483256
Molecular FormulaC13H7BrFN3O3
Molecular Weight352.12 g/mol
Exact Mass350.97
IUPAC Name2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2cc(F)c(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H7BrFN3O3/c1-7-2-8(6-16)3-13(17-7)21-12-5-10(15)9(14)4-11(12)18(19)20/h2-5H,1H3
InChIKeyUHFGBSHJTRHQLS-UHFFFAOYSA-N
XLogP3.86
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.12
LogP ≤ 53.86
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'}

Analyze 2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 103010100
[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 103484708
3-bromo-5-(4-bromo-5-fluoro-2-nitrophenoxy)benzonitrile
CID 103483257
4-(4-bromo-5-fluoro-2-nitrophenoxy)benzonitrile
CID 103483260
2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-methylbenzonitrile
CID 103483239
3-(4-bromo-5-fluoro-2-nitrophenoxy)pyridazine-4-carbonitrile
CID 103483234
2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766888
2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
CID 103483229
2-(4-amino-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
CID 114769789
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 103484542
1-bromo-4-(4-bromo-3-methylphenoxy)-2-fluoro-5-nitrobenzene
CID 83140191
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 103484581

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile (CID 103483256) is 2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Oc2cc(F)c(Br)cc2[N+](=O)[O-])n1.
What is the InChIKey of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
The InChIKey is UHFGBSHJTRHQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O3/c1-7-2-8(6-16)3-13(17-7)21-12-5-10(15)9(14)4-11(12)18(19)20/h2-5H,1H3.
What are the key properties of 2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile has a molecular weight of 352.12 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 103483256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).