5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile

C16H13N3O2 — CID 71833050

IUPAC5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile
SMILESCOc1cc2[nH]c(-c3ccccn3)c(C#N)c2cc1OC
InChIInChI=1S/C16H13N3O2/c1-20-14-7-10-11(9-17)16(12-5-3-4-6-18-12)19-13(10)8-15(14)21-2/h3-8,19H,1-2H3
InChIKeyDOWOMRAFEROEPZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.12
Rot. Bonds3

About 5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile

5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile (PubChem CID 71833050) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile
PubChem CID71833050
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile
SMILESCOc1cc2[nH]c(-c3ccccn3)c(C#N)c2cc1OC
InChIInChI=1S/C16H13N3O2/c1-20-14-7-10-11(9-17)16(12-5-3-4-6-18-12)19-13(10)8-15(14)21-2/h3-8,19H,1-2H3
InChIKeyDOWOMRAFEROEPZ-UHFFFAOYSA-N
XLogP3.12
TPSA70.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile?
The IUPAC name of 5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile (CID 71833050) is 5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile.
What is the SMILES notation for 5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile?
The canonical SMILES for 5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile is COc1cc2[nH]c(-c3ccccn3)c(C#N)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile?
The InChIKey is DOWOMRAFEROEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-20-14-7-10-11(9-17)16(12-5-3-4-6-18-12)19-13(10)8-15(14)21-2/h3-8,19H,1-2H3.
What are the key properties of 5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile?
5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile is sourced from PubChem (CID 71833050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).