1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

C8H6N2O — CID 5372812

IUPAC1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c2ncccc12
InChIInChI=1S/C8H6N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5H,(H,9,10)
InChIKeyKAIWRKYDYWYFIT-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.38
Rot. Bonds1

About 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 5372812) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID5372812
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c2ncccc12
InChIInChI=1S/C8H6N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5H,(H,9,10)
InChIKeyKAIWRKYDYWYFIT-UHFFFAOYSA-N
XLogP1.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 21110084
1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
CID 10154191
Meriolin 2
CID 24801699
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide
CID 11521534
4-[[(1S,2R)-2-methylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 11993785
3-(pyrimidin-4-yl)-4-hydroxy-1H-pyrrolo[2,3-b]pyridine
CID 24801182
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 24856835
4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277763
1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde
CID 21963887
1H-Pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethan-1-one
CID 12778216
Truli
CID 71890885

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 5372812) is 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is O=Cc1c[nH]c2ncccc12.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is KAIWRKYDYWYFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5H,(H,9,10).
What are the key properties of 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 146.15 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 5372812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).