2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile

C11H10N2O — CID 54562163

IUPAC2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile
SMILESCC1(C)C=Cc2cnc(C#N)cc2O1
InChIInChI=1S/C11H10N2O/c1-11(2)4-3-8-7-13-9(6-12)5-10(8)14-11/h3-5,7H,1-2H3
InChIKeyZRIHLTLUXBCROW-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.14
Rot. Bonds

About 2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile

2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile (PubChem CID 54562163) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile
PubChem CID54562163
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile
SMILESCC1(C)C=Cc2cnc(C#N)cc2O1
InChIInChI=1S/C11H10N2O/c1-11(2)4-3-8-7-13-9(6-12)5-10(8)14-11/h3-5,7H,1-2H3
InChIKeyZRIHLTLUXBCROW-UHFFFAOYSA-N
XLogP2.14
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile (CID 54562163) is 2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile is CC1(C)C=Cc2cnc(C#N)cc2O1.
What is the InChIKey of 2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile?
The InChIKey is ZRIHLTLUXBCROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-11(2)4-3-8-7-13-9(6-12)5-10(8)14-11/h3-5,7H,1-2H3.
What are the key properties of 2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile?
2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile has a molecular weight of 186.21 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpyrano[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 54562163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).