2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile

C11H11N3O2 — CID 156876776

IUPAC2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile
SMILESCOc1cc2[nH]c(N)c(C#N)c2cc1OC
InChIInChI=1S/C11H11N3O2/c1-15-9-3-6-7(5-12)11(13)14-8(6)4-10(9)16-2/h3-4,14H,13H2,1-2H3
InChIKeyZFAAIJOBUUPSDG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.64
Rot. Bonds2

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

2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile (PubChem CID 156876776) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile
PubChem CID156876776
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile
SMILESCOc1cc2[nH]c(N)c(C#N)c2cc1OC
InChIInChI=1S/C11H11N3O2/c1-15-9-3-6-7(5-12)11(13)14-8(6)4-10(9)16-2/h3-4,14H,13H2,1-2H3
InChIKeyZFAAIJOBUUPSDG-UHFFFAOYSA-N
XLogP1.64
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonitrile;hydrate
CID 110169121
2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile
CID 166518306
5,6-dimethoxy-2-pyridin-2-yl-1H-indole-3-carbonitrile
CID 71833050
2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile
CID 156877023
2-amino-7-methoxy-5-nitro-1H-indole-3-carbonitrile
CID 166518053
2-amino-4-(3-iodo-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393341
2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile
CID 156876850
4-amino-3-hydroxy-6-methoxybenzene-1,2-dicarbonitrile
CID 605092
2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile
CID 125424459
6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 134987165
6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride
CID 91665124
6,7-dimethoxy-4-sulfanylidene-1H-quinazolin-2-one
CID 15430356

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile?
The IUPAC name of 2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile (CID 156876776) is 2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile?
The canonical SMILES for 2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile is COc1cc2[nH]c(N)c(C#N)c2cc1OC.
What is the InChIKey of 2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile?
The InChIKey is ZFAAIJOBUUPSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-15-9-3-6-7(5-12)11(13)14-8(6)4-10(9)16-2/h3-4,14H,13H2,1-2H3.
What are the key properties of 2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile?
2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile has a molecular weight of 217.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile is sourced from PubChem (CID 156876776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).