4,6-dimethyl-2-phenoxypyridine-3-carbonitrile

C14H12N2O — CID 946983

IUPAC4,6-dimethyl-2-phenoxypyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2ccccc2)n1
InChIInChI=1S/C14H12N2O/c1-10-8-11(2)16-14(13(10)9-15)17-12-6-4-3-5-7-12/h3-8H,1-2H3
InChIKeyDNYKOSXWIKBDLH-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.36
Rot. Bonds2

About 4,6-dimethyl-2-phenoxypyridine-3-carbonitrile

4,6-dimethyl-2-phenoxypyridine-3-carbonitrile (PubChem CID 946983) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-phenoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-phenoxypyridine-3-carbonitrile
PubChem CID946983
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4,6-dimethyl-2-phenoxypyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2ccccc2)n1
InChIInChI=1S/C14H12N2O/c1-10-8-11(2)16-14(13(10)9-15)17-12-6-4-3-5-7-12/h3-8H,1-2H3
InChIKeyDNYKOSXWIKBDLH-UHFFFAOYSA-N
XLogP3.36
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-phenoxypyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-phenoxypyridine-3-carbonitrile (CID 946983) is 4,6-dimethyl-2-phenoxypyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-phenoxypyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-phenoxypyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Oc2ccccc2)n1.
What is the InChIKey of 4,6-dimethyl-2-phenoxypyridine-3-carbonitrile?
The InChIKey is DNYKOSXWIKBDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-8-11(2)16-14(13(10)9-15)17-12-6-4-3-5-7-12/h3-8H,1-2H3.
What are the key properties of 4,6-dimethyl-2-phenoxypyridine-3-carbonitrile?
4,6-dimethyl-2-phenoxypyridine-3-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-phenoxypyridine-3-carbonitrile is sourced from PubChem (CID 946983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).