1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

C13H8ClN3O — CID 156810814

IUPAC1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2-c2cncc(Cl)c2)c1
InChIInChI=1S/C13H8ClN3O/c14-11-4-12(7-15-6-11)17-2-1-10-3-9(8-18)5-16-13(10)17/h1-8H
InChIKeyUSMUTGBIUVOAOB-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.89
Rot. Bonds2

About 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 156810814) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID156810814
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2-c2cncc(Cl)c2)c1
InChIInChI=1S/C13H8ClN3O/c14-11-4-12(7-15-6-11)17-2-1-10-3-9(8-18)5-16-13(10)17/h1-8H
InChIKeyUSMUTGBIUVOAOB-UHFFFAOYSA-N
XLogP2.89
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 176661333
5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile
CID 163261106
4,4-difluoro-1-methylpiperidine;N-methylformamide;1-(5-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 156810925
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
4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide
CID 163260922
1-(3-chloro-5-formylphenyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde;4,4-difluoro-1-methylpiperidine;4-methyl-1,4-thiazinane 1-oxide
CID 163261010
N'-[amino-[5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-3-pyridinyl]amino]propanimidamide;4,4-difluoro-1-methylpiperidine
CID 176715709
1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 163260956
1-[6-(3-methyl-3-methylsulfanylbut-1-ynyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 177185570
N-[5-[1-(5-amino-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]pentyl]formamide
CID 176661498
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-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 156810814) is 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is O=Cc1cnc2c(ccn2-c2cncc(Cl)c2)c1.
What is the InChIKey of 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is USMUTGBIUVOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-11-4-12(7-15-6-11)17-2-1-10-3-9(8-18)5-16-13(10)17/h1-8H.
What are the key properties of 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 257.68 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 156810814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).