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

C12H6BrClN2O — CID 103583574

IUPAC4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C12H6BrClN2O/c13-9-5-11(14)12(16-7-9)17-10-3-1-8(6-15)2-4-10/h1-5,7H
InChIKeySVXZZGINQHWWLW-UHFFFAOYSA-N
MW309.55 g/mol
LogP4.16
Rot. Bonds2

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

4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile (PubChem CID 103583574) has the molecular formula C12H6BrClN2O and a molecular weight of 309.55 g/mol. Its IUPAC name is 4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile
PubChem CID103583574
Molecular FormulaC12H6BrClN2O
Molecular Weight309.55 g/mol
Exact Mass307.94
IUPAC Name4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C12H6BrClN2O/c13-9-5-11(14)12(16-7-9)17-10-3-1-8(6-15)2-4-10/h1-5,7H
InChIKeySVXZZGINQHWWLW-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-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
CID 103583572
5-bromo-3-chloro-2-(4-iodophenoxy)pyridine
CID 103582296
4-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 105368203
5-bromo-3-chloro-2-(3,4-difluorophenoxy)pyridine
CID 103583644
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]benzonitrile
CID 59849857
ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 57099582
5-bromo-3-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 103583561
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103566354
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 66280001
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile (CID 103583574) is 4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile is N#Cc1ccc(Oc2ncc(Br)cc2Cl)cc1.
What is the InChIKey of 4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile?
The InChIKey is SVXZZGINQHWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O/c13-9-5-11(14)12(16-7-9)17-10-3-1-8(6-15)2-4-10/h1-5,7H.
What are the key properties of 4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile?
4-[(5-bromo-3-chloro-2-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-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 103583574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).