4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile

C15H12N4 — CID 81060210

IUPAC4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(-n2ncc3ccccc32)c(C#N)c(C)n1
InChIInChI=1S/C15H12N4/c1-10-7-15(13(8-16)11(2)18-10)19-14-6-4-3-5-12(14)9-17-19/h3-7,9H,1-2H3
InChIKeyOSTDZPBTZBHGDL-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.91
Rot. Bonds1

About 4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile

4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060210) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060210
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(-n2ncc3ccccc32)c(C#N)c(C)n1
InChIInChI=1S/C15H12N4/c1-10-7-15(13(8-16)11(2)18-10)19-14-6-4-3-5-12(14)9-17-19/h3-7,9H,1-2H3
InChIKeyOSTDZPBTZBHGDL-UHFFFAOYSA-N
XLogP2.91
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile (CID 81060210) is 4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(-n2ncc3ccccc32)c(C#N)c(C)n1.
What is the InChIKey of 4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is OSTDZPBTZBHGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-10-7-15(13(8-16)11(2)18-10)19-14-6-4-3-5-12(14)9-17-19/h3-7,9H,1-2H3.
What are the key properties of 4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile?
4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).