3-[(5-bromo-3-pyridinyl)oxy]benzonitrile

C12H7BrN2O — CID 73011173

IUPAC3-[(5-bromo-3-pyridinyl)oxy]benzonitrile
SMILESN#Cc1cccc(Oc2cncc(Br)c2)c1
InChIInChI=1S/C12H7BrN2O/c13-10-5-12(8-15-7-10)16-11-3-1-2-9(4-11)6-14/h1-5,7-8H
InChIKeyMZBPXAQQRMFMKP-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.51
Rot. Bonds2

About 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile

3-[(5-bromo-3-pyridinyl)oxy]benzonitrile (PubChem CID 73011173) has the molecular formula C12H7BrN2O and a molecular weight of 275.11 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)oxy]benzonitrile
PubChem CID73011173
Molecular FormulaC12H7BrN2O
Molecular Weight275.11 g/mol
Exact Mass273.97
IUPAC Name3-[(5-bromo-3-pyridinyl)oxy]benzonitrile
SMILESN#Cc1cccc(Oc2cncc(Br)c2)c1
InChIInChI=1S/C12H7BrN2O/c13-10-5-12(8-15-7-10)16-11-3-1-2-9(4-11)6-14/h1-5,7-8H
InChIKeyMZBPXAQQRMFMKP-UHFFFAOYSA-N
XLogP3.51
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile 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

3-(3-bromo-5-nitrophenoxy)benzonitrile
CID 103588633
3-(2-amino-5-bromopyrimidin-4-yl)oxybenzonitrile
CID 80863504
3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile
CID 79400583
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
CID 104507270
3-(3-ethylphenoxy)benzonitrile
CID 66843456
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
3-[3-(dimethylamino)phenoxy]benzonitrile
CID 102818049
3-(2-amino-3-bromophenoxy)benzonitrile
CID 170702744
5-bromo-2-(3-cyanophenoxy)benzoic acid
CID 114061355
3-(4-formylphenoxy)benzonitrile
CID 13238539
(3-cyanophenyl) cyanate
CID 134259418
5-(bromomethyl)-2-[(5-bromo-3-pyridinyl)oxy]benzonitrile
CID 114063698

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile (CID 73011173) is 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile is N#Cc1cccc(Oc2cncc(Br)c2)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile?
The InChIKey is MZBPXAQQRMFMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O/c13-10-5-12(8-15-7-10)16-11-3-1-2-9(4-11)6-14/h1-5,7-8H.
What are the key properties of 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile?
3-[(5-bromo-3-pyridinyl)oxy]benzonitrile has a molecular weight of 275.11 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 73011173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).