3-methoxypyrido[1,2-a]indole-10-carbonitrile

C14H10N2O — CID 1488983

IUPAC3-methoxypyrido[1,2-a]indole-10-carbonitrile
SMILESCOc1ccc2c(C#N)c3ccccn3c2c1
InChIInChI=1S/C14H10N2O/c1-17-10-5-6-11-12(9-15)13-4-2-3-7-16(13)14(11)8-10/h2-8H,1H3
InChIKeyXFTUIYAMZMOGOC-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.97
Rot. Bonds1

About 3-methoxypyrido[1,2-a]indole-10-carbonitrile

3-methoxypyrido[1,2-a]indole-10-carbonitrile (PubChem CID 1488983) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-methoxypyrido[1,2-a]indole-10-carbonitrile.

Molecular Properties

Compound Name3-methoxypyrido[1,2-a]indole-10-carbonitrile
PubChem CID1488983
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-methoxypyrido[1,2-a]indole-10-carbonitrile
SMILESCOc1ccc2c(C#N)c3ccccn3c2c1
InChIInChI=1S/C14H10N2O/c1-17-10-5-6-11-12(9-15)13-4-2-3-7-16(13)14(11)8-10/h2-8H,1H3
InChIKeyXFTUIYAMZMOGOC-UHFFFAOYSA-N
XLogP2.97
TPSA37.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3564
Harmine
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Arvelexin
CID 119406
Harmine Hydrochloride
CID 5359389
2-(2-Aminoethyl)-5-methoxyindole
CID 17654
6-Methoxy-1H-indole
CID 76659
7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 599482
9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
CID 9881423
7-methoxy-9H-pyrido(3,4-b)indole
CID 9815570
1-(4-methoxyphenyl)-1H-indole
CID 775715
1H-Indole-3-ethanamine, 4-methoxy-
CID 19219
2-(6-methoxy-1H-indol-3-yl)acetonitrile
CID 785362

Frequently Asked Questions

What is the IUPAC name of 3-methoxypyrido[1,2-a]indole-10-carbonitrile?
The IUPAC name of 3-methoxypyrido[1,2-a]indole-10-carbonitrile (CID 1488983) is 3-methoxypyrido[1,2-a]indole-10-carbonitrile.
What is the SMILES notation for 3-methoxypyrido[1,2-a]indole-10-carbonitrile?
The canonical SMILES for 3-methoxypyrido[1,2-a]indole-10-carbonitrile is COc1ccc2c(C#N)c3ccccn3c2c1.
What is the InChIKey of 3-methoxypyrido[1,2-a]indole-10-carbonitrile?
The InChIKey is XFTUIYAMZMOGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-17-10-5-6-11-12(9-15)13-4-2-3-7-16(13)14(11)8-10/h2-8H,1H3.
What are the key properties of 3-methoxypyrido[1,2-a]indole-10-carbonitrile?
3-methoxypyrido[1,2-a]indole-10-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyrido[1,2-a]indole-10-carbonitrile is sourced from PubChem (CID 1488983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).