2-(3-cyanophenoxy)pyridine-3-carbonitrile

C13H7N3O — CID 24692068

IUPAC2-(3-cyanophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccc(Oc2ncccc2C#N)c1
InChIInChI=1S/C13H7N3O/c14-8-10-3-1-5-12(7-10)17-13-11(9-15)4-2-6-16-13/h1-7H
InChIKeyATZVQJAARBOLQN-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.62
Rot. Bonds2

About 2-(3-cyanophenoxy)pyridine-3-carbonitrile

2-(3-cyanophenoxy)pyridine-3-carbonitrile (PubChem CID 24692068) has the molecular formula C13H7N3O and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-cyanophenoxy)pyridine-3-carbonitrile
PubChem CID24692068
Molecular FormulaC13H7N3O
Molecular Weight221.22 g/mol
Exact Mass221.06
IUPAC Name2-(3-cyanophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccc(Oc2ncccc2C#N)c1
InChIInChI=1S/C13H7N3O/c14-8-10-3-1-5-12(7-10)17-13-11(9-15)4-2-6-16-13/h1-7H
InChIKeyATZVQJAARBOLQN-UHFFFAOYSA-N
XLogP2.62
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-pyridine
CID 11957947
2-Phenoxynicotinonitrile
CID 84242
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
RG 13022
CID 5468216
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
3-Cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine
CID 68511788
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
4-[2-(3,4-Dimethoxy-phenyl)-vinyl]-pyridine
CID 703616

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-cyanophenoxy)pyridine-3-carbonitrile (CID 24692068) is 2-(3-cyanophenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-cyanophenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-cyanophenoxy)pyridine-3-carbonitrile is N#Cc1cccc(Oc2ncccc2C#N)c1.
What is the InChIKey of 2-(3-cyanophenoxy)pyridine-3-carbonitrile?
The InChIKey is ATZVQJAARBOLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O/c14-8-10-3-1-5-12(7-10)17-13-11(9-15)4-2-6-16-13/h1-7H.
What are the key properties of 2-(3-cyanophenoxy)pyridine-3-carbonitrile?
2-(3-cyanophenoxy)pyridine-3-carbonitrile has a molecular weight of 221.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 24692068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).