4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile

C14H11BrN2O — CID 169435503

IUPAC4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCc2ccc(Br)cn2)cc1
InChIInChI=1S/C14H11BrN2O/c15-12-3-4-13(17-10-12)7-8-18-14-5-1-11(9-16)2-6-14/h1-6,10H,7-8H2
InChIKeyKLFWDWOUMYYVNX-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.34
Rot. Bonds4

About 4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile

4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile (PubChem CID 169435503) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile
PubChem CID169435503
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCc2ccc(Br)cn2)cc1
InChIInChI=1S/C14H11BrN2O/c15-12-3-4-13(17-10-12)7-8-18-14-5-1-11(9-16)2-6-14/h1-6,10H,7-8H2
InChIKeyKLFWDWOUMYYVNX-UHFFFAOYSA-N
XLogP3.34
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566817
4-[2-(4-bromopyrazol-1-yl)ethoxy]benzonitrile
CID 61036070
2-[2-(4-bromophenoxy)ethyl]-5-ethylpyridine;sulfuric acid
CID 131698614
2-[2-(azetidin-3-yloxy)ethyl]-5-bromopyridine
CID 165492873
2-[2-(4-bromophenoxy)ethyl]-5-ethylpyridine;hydroxy sulfite
CID 171030580
4-[(5-bromo-2-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 104797266
4-(2-chloroethoxy)benzonitrile
CID 12503864
4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile
CID 55321352
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
CID 88918404
CID 88918404
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371
4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile
CID 103583574

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile (CID 169435503) is 4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile is N#Cc1ccc(OCCc2ccc(Br)cn2)cc1.
What is the InChIKey of 4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile?
The InChIKey is KLFWDWOUMYYVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-12-3-4-13(17-10-12)7-8-18-14-5-1-11(9-16)2-6-14/h1-6,10H,7-8H2.
What are the key properties of 4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile?
4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile has a molecular weight of 303.16 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile is sourced from PubChem (CID 169435503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).