4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile

C10H9N3O — CID 133058980

IUPAC4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCOc1nccc2c1c(C#N)cn2C
InChIInChI=1S/C10H9N3O/c1-13-6-7(5-11)9-8(13)3-4-12-10(9)14-2/h3-4,6H,1-2H3
InChIKeyARSHXUWJXKZMRD-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.45
Rot. Bonds1

About 4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile

4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 133058980) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID133058980
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCOc1nccc2c1c(C#N)cn2C
InChIInChI=1S/C10H9N3O/c1-13-6-7(5-11)9-8(13)3-4-12-10(9)14-2/h3-4,6H,1-2H3
InChIKeyARSHXUWJXKZMRD-UHFFFAOYSA-N
XLogP1.45
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
CID 123135127
1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile
CID 84681119
ethane;2-methoxy-4-methylpyridine-3-carbonitrile
CID 143628109
methyl 3-(4-cyano-2-methoxy-3-pyridinyl)propanoate
CID 11850564
6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane
CID 176702943
7-ethyl-1-methoxyisoquinoline-4-carbonitrile
CID 84679115
1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carbonitrile
CID 126639429
7-(dimethylamino)-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile
CID 84669511
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868
2-amino-3-methoxypyridine-4-carbonitrile
CID 119008988
2-(1-methylindol-3-yl)pyridine-3-carbonitrile
CID 11218536

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile (CID 133058980) is 4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile is COc1nccc2c1c(C#N)cn2C.
What is the InChIKey of 4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is ARSHXUWJXKZMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-13-6-7(5-11)9-8(13)3-4-12-10(9)14-2/h3-4,6H,1-2H3.
What are the key properties of 4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile?
4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 133058980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).