1-hydroxy-5-methylpyrrolo[2,3-c]pyridine

C8H8N2O — CID 170354659

IUPAC1-hydroxy-5-methylpyrrolo[2,3-c]pyridine
SMILESCc1cc2ccn(O)c2cn1
InChIInChI=1S/C8H8N2O/c1-6-4-7-2-3-10(11)8(7)5-9-6/h2-5,11H,1H3
InChIKeyBUJURXBOUWKBFV-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.58
Rot. Bonds

About 1-hydroxy-5-methylpyrrolo[2,3-c]pyridine

1-hydroxy-5-methylpyrrolo[2,3-c]pyridine (PubChem CID 170354659) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-hydroxy-5-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-hydroxy-5-methylpyrrolo[2,3-c]pyridine
PubChem CID170354659
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name1-hydroxy-5-methylpyrrolo[2,3-c]pyridine
SMILESCc1cc2ccn(O)c2cn1
InChIInChI=1S/C8H8N2O/c1-6-4-7-2-3-10(11)8(7)5-9-6/h2-5,11H,1H3
InChIKeyBUJURXBOUWKBFV-UHFFFAOYSA-N
XLogP1.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-hydroxy-5-methylpyrrolo[2,3-c]pyridine (CID 170354659) is 1-hydroxy-5-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-hydroxy-5-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-hydroxy-5-methylpyrrolo[2,3-c]pyridine is Cc1cc2ccn(O)c2cn1.
What is the InChIKey of 1-hydroxy-5-methylpyrrolo[2,3-c]pyridine?
The InChIKey is BUJURXBOUWKBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-6-4-7-2-3-10(11)8(7)5-9-6/h2-5,11H,1H3.
What are the key properties of 1-hydroxy-5-methylpyrrolo[2,3-c]pyridine?
1-hydroxy-5-methylpyrrolo[2,3-c]pyridine has a molecular weight of 148.16 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 170354659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).