3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile

C12H8BrN3O — CID 103011480

IUPAC3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1cc(N)ccc1Br
InChIInChI=1S/C12H8BrN3O/c13-10-2-1-9(15)5-11(10)17-12-7-16-4-3-8(12)6-14/h1-5,7H,15H2
InChIKeyXAWUMOFEAIAWMD-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.09
Rot. Bonds2

About 3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile

3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile (PubChem CID 103011480) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile
PubChem CID103011480
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1cc(N)ccc1Br
InChIInChI=1S/C12H8BrN3O/c13-10-2-1-9(15)5-11(10)17-12-7-16-4-3-8(12)6-14/h1-5,7H,15H2
InChIKeyXAWUMOFEAIAWMD-UHFFFAOYSA-N
XLogP3.09
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 103011473
4-bromo-3-pyridin-4-yloxyaniline
CID 103011740
2-(5-amino-2-bromophenoxy)-3-methylbenzonitrile
CID 107111225
3-(2,4-difluorophenoxy)pyridine-4-carbonitrile
CID 113269432
3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
CID 113269475
2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107552173
3-(2,5-diaminophenyl)pyridine-4-carbonitrile
CID 18415391
3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile
CID 113458316
4-(5-amino-2-bromophenoxy)-3,5-difluorobenzonitrile
CID 103011501
3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile
CID 114287943
4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
CID 103011509
2-(5-aminoisoquinolin-6-yl)oxybenzonitrile
CID 106948597

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile (CID 103011480) is 3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile is N#Cc1ccncc1Oc1cc(N)ccc1Br.
What is the InChIKey of 3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile?
The InChIKey is XAWUMOFEAIAWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-10-2-1-9(15)5-11(10)17-12-7-16-4-3-8(12)6-14/h1-5,7H,15H2.
What are the key properties of 3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile?
3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile has a molecular weight of 290.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-bromophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 103011480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).