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

C9H7N3O — CID 123135127

IUPAC4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCOc1nccc2[nH]cc(C#N)c12
InChIInChI=1S/C9H7N3O/c1-13-9-8-6(4-10)5-12-7(8)2-3-11-9/h2-3,5,12H,1H3
InChIKeyKSQJAHMDPPSLPT-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.44
Rot. Bonds1

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

4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 123135127) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID123135127
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCOc1nccc2[nH]cc(C#N)c12
InChIInChI=1S/C9H7N3O/c1-13-9-8-6(4-10)5-12-7(8)2-3-11-9/h2-3,5,12H,1H3
InChIKeyKSQJAHMDPPSLPT-UHFFFAOYSA-N
XLogP1.44
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 123135127) is 4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile is COc1nccc2[nH]cc(C#N)c12.
What is the InChIKey of 4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is KSQJAHMDPPSLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-13-9-8-6(4-10)5-12-7(8)2-3-11-9/h2-3,5,12H,1H3.
What are the key properties of 4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile?
4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 173.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 123135127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).