1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

C13H11N3O2 — CID 163260956

IUPAC1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2C2=CC=C(O)NC2)c1
InChIInChI=1S/C13H11N3O2/c17-8-9-5-10-3-4-16(13(10)15-6-9)11-1-2-12(18)14-7-11/h1-6,8,14,18H,7H2
InChIKeyGFRVIMAJEBSDIY-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.69
Rot. Bonds2

About 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 163260956) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID163260956
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2C2=CC=C(O)NC2)c1
InChIInChI=1S/C13H11N3O2/c17-8-9-5-10-3-4-16(13(10)15-6-9)11-1-2-12(18)14-7-11/h1-6,8,14,18H,7H2
InChIKeyGFRVIMAJEBSDIY-UHFFFAOYSA-N
XLogP1.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-1,2-dihydropyridine-6-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 176715839
4,4-difluoro-1-methylpiperidine;1-[[3-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-1,2-dihydropyridine-6-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 176715838
1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 156810814
4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile
CID 163260904
1-[4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 177185591
5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile
CID 163261106
4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide
CID 163260922
N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide
CID 156811131
3-(5-formylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile;1-methylpiperidine
CID 163260793
4,4-difluoro-1-methylpiperidine;ethane;6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxylic acid
CID 176661233
1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 176661333
1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 156811370

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 163260956) is 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is O=Cc1cnc2c(ccn2C2=CC=C(O)NC2)c1.
What is the InChIKey of 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is GFRVIMAJEBSDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-8-9-5-10-3-4-16(13(10)15-6-9)11-1-2-12(18)14-7-11/h1-6,8,14,18H,7H2.
What are the key properties of 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 163260956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).