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

C8H5N3O — CID 136969987

IUPAC2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(O)[nH]c2cnccc12
InChIInChI=1S/C8H5N3O/c9-3-6-5-1-2-10-4-7(5)11-8(6)12/h1-2,4,11-12H
InChIKeyBQFRLGDMIYYYQD-UHFFFAOYSA-N
MW159.15 g/mol
LogP1.14
Rot. Bonds

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

2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile (PubChem CID 136969987) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is 2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
PubChem CID136969987
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Name2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(O)[nH]c2cnccc12
InChIInChI=1S/C8H5N3O/c9-3-6-5-1-2-10-4-7(5)11-8(6)12/h1-2,4,11-12H
InChIKeyBQFRLGDMIYYYQD-UHFFFAOYSA-N
XLogP1.14
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile (CID 136969987) is 2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile is N#Cc1c(O)[nH]c2cnccc12.
What is the InChIKey of 2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
The InChIKey is BQFRLGDMIYYYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c9-3-6-5-1-2-10-4-7(5)11-8(6)12/h1-2,4,11-12H.
What are the key properties of 2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?
2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 136969987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).