2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile

C11H11N3O2 — CID 166518306

IUPAC2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile
SMILESCOc1cc(OC)c2[nH]c(N)c(C#N)c2c1
InChIInChI=1S/C11H11N3O2/c1-15-6-3-7-8(5-12)11(13)14-10(7)9(4-6)16-2/h3-4,14H,13H2,1-2H3
InChIKeyVLXHNRVSKMADEC-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.64
Rot. Bonds2

About 2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile

2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile (PubChem CID 166518306) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile
PubChem CID166518306
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile
SMILESCOc1cc(OC)c2[nH]c(N)c(C#N)c2c1
InChIInChI=1S/C11H11N3O2/c1-15-6-3-7-8(5-12)11(13)14-10(7)9(4-6)16-2/h3-4,14H,13H2,1-2H3
InChIKeyVLXHNRVSKMADEC-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

2-amino-7-methoxy-5-nitro-1H-indole-3-carbonitrile
CID 166518053
2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile
CID 156876776
6,8-dimethoxy-4-oxo-1H-quinoline-2-carbonitrile
CID 11746430
methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate
CID 169393810
2,4-dimethoxy-6-methylbenzonitrile
CID 11435258
5,7-dimethoxy-1H-indol-3-amine
CID 82402843
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2-amino-4-(3-iodo-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393341
1,3-dimethoxy-6-methyl-9H-carbazole
CID 171714907
3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile
CID 82495071
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
methyl 2-amino-3-cyano-1H-indole-7-carboxylate
CID 156876787

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile?
The IUPAC name of 2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile (CID 166518306) is 2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile?
The canonical SMILES for 2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile is COc1cc(OC)c2[nH]c(N)c(C#N)c2c1.
What is the InChIKey of 2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile?
The InChIKey is VLXHNRVSKMADEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-15-6-3-7-8(5-12)11(13)14-10(7)9(4-6)16-2/h3-4,14H,13H2,1-2H3.
What are the key properties of 2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile?
2-amino-5,7-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-5,7-dimethoxy-1H-indole-3-carbonitrile is sourced from PubChem (CID 166518306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).