1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile

C10H9N3O2 — CID 170736843

IUPAC1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile
SMILESCOCn1ccc2c(C#N)c[nH]c(=O)c21
InChIInChI=1S/C10H9N3O2/c1-15-6-13-3-2-8-7(4-11)5-12-10(14)9(8)13/h2-3,5H,6H2,1H3,(H,12,14)
InChIKeyRPUYTJKUCUNILF-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.81
Rot. Bonds2

About 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile

1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile (PubChem CID 170736843) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile
PubChem CID170736843
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile
SMILESCOCn1ccc2c(C#N)c[nH]c(=O)c21
InChIInChI=1S/C10H9N3O2/c1-15-6-13-3-2-8-7(4-11)5-12-10(14)9(8)13/h2-3,5H,6H2,1H3,(H,12,14)
InChIKeyRPUYTJKUCUNILF-UHFFFAOYSA-N
XLogP0.81
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(methoxymethyl)pyrrole-2-carbonitrile
CID 112692720
7-methyl-1-oxo-2H-isoquinoline-4-carbonitrile
CID 84659509
2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile
CID 172608767
5-[(2,4-dioxopyrimidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65344387
1-methyl-3-oxo-2H-indazole-7-carbonitrile
CID 105435392
6-methoxy-1H-indole-3-carbonitrile
CID 53401197
4-[(2,4-dioxo-1H-pyrimidin-3-yl)methyl]-2-methoxybenzonitrile
CID 107103957
methyl 3-cyano-1H-indole-5-carboxylate
CID 19603726
2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835
1-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoquinoline-4-carbonitrile
CID 170741876
5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 22466603
4-tert-butyl-5-nitro-6-oxo-1H-pyridine-3-carbonitrile
CID 154126348

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The IUPAC name of 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile (CID 170736843) is 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile is COCn1ccc2c(C#N)c[nH]c(=O)c21.
What is the InChIKey of 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The InChIKey is RPUYTJKUCUNILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-15-6-13-3-2-8-7(4-11)5-12-10(14)9(8)13/h2-3,5H,6H2,1H3,(H,12,14).
What are the key properties of 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile has a molecular weight of 203.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile is sourced from PubChem (CID 170736843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).