4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile

C13H9ClN2O — CID 64601565

IUPAC4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2cncc(Cl)c2)cc1
InChIInChI=1S/C13H9ClN2O/c14-12-5-13(8-16-7-12)17-9-11-3-1-10(6-15)2-4-11/h1-5,7-8H,9H2
InChIKeyFBTIXFGKEXBKCH-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.19
Rot. Bonds3

About 4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile

4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile (PubChem CID 64601565) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile
PubChem CID64601565
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2cncc(Cl)c2)cc1
InChIInChI=1S/C13H9ClN2O/c14-12-5-13(8-16-7-12)17-9-11-3-1-10(6-15)2-4-11/h1-5,7-8H,9H2
InChIKeyFBTIXFGKEXBKCH-UHFFFAOYSA-N
XLogP3.19
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
3-[(5-chloro-3-pyridinyl)oxy]-N-(4-cyanophenyl)propanamide
CID 64601175
4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602735
4-[(4-chloro-3-methylphenoxy)methyl]benzonitrile
CID 22688362
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
4-[(4-iodophenoxy)methyl]benzonitrile
CID 7694615
4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494
4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 106698444
4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
CID 64601208
5-chloropyridine-3-carbonitrile
CID 12645070

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile (CID 64601565) is 4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile is N#Cc1ccc(COc2cncc(Cl)c2)cc1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile?
The InChIKey is FBTIXFGKEXBKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-12-5-13(8-16-7-12)17-9-11-3-1-10(6-15)2-4-11/h1-5,7-8H,9H2.
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile?
4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile has a molecular weight of 244.68 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile is sourced from PubChem (CID 64601565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).