4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile

C12H6BrClN2O — CID 114902499

IUPAC4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Br)cc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H6BrClN2O/c13-9-2-1-8(5-15)12(3-9)17-11-4-10(14)6-16-7-11/h1-4,6-7H
InChIKeySYBVRUDGHXKAOG-UHFFFAOYSA-N
MW309.55 g/mol
LogP4.16
Rot. Bonds2

About 4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile

4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile (PubChem CID 114902499) has the molecular formula C12H6BrClN2O and a molecular weight of 309.55 g/mol. Its IUPAC name is 4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
PubChem CID114902499
Molecular FormulaC12H6BrClN2O
Molecular Weight309.55 g/mol
Exact Mass307.94
IUPAC Name4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Br)cc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H6BrClN2O/c13-9-2-1-8(5-15)12(3-9)17-11-4-10(14)6-16-7-11/h1-4,6-7H
InChIKeySYBVRUDGHXKAOG-UHFFFAOYSA-N
XLogP4.16
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
CID 64602337
2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile
CID 64602529
5-bromo-2-(3,5-dichlorophenoxy)benzonitrile
CID 114891024
2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile
CID 22148825
1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 82970681
4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864
4-bromo-2-naphthalen-2-yloxybenzonitrile
CID 114902376
4-bromo-2-(3,4-dimethylphenoxy)benzonitrile
CID 114902365
4-bromo-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 114902415
2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
CID 63512034
5-(bromomethyl)-2-[(5-bromo-3-pyridinyl)oxy]benzonitrile
CID 114063698
2-[3-[(5-chloro-3-pyridinyl)oxy]propoxy]benzonitrile
CID 64602339

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile?
The IUPAC name of 4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile (CID 114902499) is 4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile is N#Cc1ccc(Br)cc1Oc1cncc(Cl)c1.
What is the InChIKey of 4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile?
The InChIKey is SYBVRUDGHXKAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O/c13-9-2-1-8(5-15)12(3-9)17-11-4-10(14)6-16-7-11/h1-4,6-7H.
What are the key properties of 4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile?
4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile has a molecular weight of 309.55 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 114902499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).