2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile

C14H13N3O — CID 117096489

IUPAC2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile
SMILESCC(C)(Oc1ncccc1C#N)c1cccnc1
InChIInChI=1S/C14H13N3O/c1-14(2,12-6-4-7-16-10-12)18-13-11(9-15)5-3-8-17-13/h3-8,10H,1-2H3
InChIKeyBZGRRZMLZTYQIG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.66
Rot. Bonds3

About 2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile

2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile (PubChem CID 117096489) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile
PubChem CID117096489
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile
SMILESCC(C)(Oc1ncccc1C#N)c1cccnc1
InChIInChI=1S/C14H13N3O/c1-14(2,12-6-4-7-16-10-12)18-13-11(9-15)5-3-8-17-13/h3-8,10H,1-2H3
InChIKeyBZGRRZMLZTYQIG-UHFFFAOYSA-N
XLogP2.66
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428
2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
CID 66231573
2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile
CID 43184944
2-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24708070
2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 24708942
2-(3,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24709601
2-hexoxypyridine-3-carbonitrile
CID 29001326
methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate
CID 117096453
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-2-(trifluoromethyl)benzonitrile
CID 166339847
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile (CID 117096489) is 2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile is CC(C)(Oc1ncccc1C#N)c1cccnc1.
What is the InChIKey of 2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile?
The InChIKey is BZGRRZMLZTYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-14(2,12-6-4-7-16-10-12)18-13-11(9-15)5-3-8-17-13/h3-8,10H,1-2H3.
What are the key properties of 2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile?
2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile is sourced from PubChem (CID 117096489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).