3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile

C12H9N3O — CID 114287943

IUPAC3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile
SMILESCc1ccc(Oc2cnccc2C#N)cn1
InChIInChI=1S/C12H9N3O/c1-9-2-3-11(7-15-9)16-12-8-14-5-4-10(12)6-13/h2-5,7-8H,1H3
InChIKeyVEVFGMBXIBOCAX-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.45
Rot. Bonds2

About 3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile

3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile (PubChem CID 114287943) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile
PubChem CID114287943
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile
SMILESCc1ccc(Oc2cnccc2C#N)cn1
InChIInChI=1S/C12H9N3O/c1-9-2-3-11(7-15-9)16-12-8-14-5-4-10(12)6-13/h2-5,7-8H,1H3
InChIKeyVEVFGMBXIBOCAX-UHFFFAOYSA-N
XLogP2.45
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pilavapadin
CID 118419773
2-Phenoxynicotinonitrile
CID 84242
Pyridine, 5-amino-2,3'-oxydi-
CID 2800156
[3H]methoxy-PEPy
CID 10910934
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
2-Chloro-6-((2-methylpyridin-4-yl)methoxy)isonicotinonitrile
CID 44410045
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-((E)-2-pyridin-4-yl-vinyl)-pyridine
CID 44372347
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile (CID 114287943) is 3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile is Cc1ccc(Oc2cnccc2C#N)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile?
The InChIKey is VEVFGMBXIBOCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-9-2-3-11(7-15-9)16-12-8-14-5-4-10(12)6-13/h2-5,7-8H,1H3.
What are the key properties of 3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile?
3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile has a molecular weight of 211.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile is sourced from PubChem (CID 114287943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).