2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde

C9H7ClN2O — CID 117223862

IUPAC2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
SMILESO=CCn1c(Cl)cc2cccnc21
InChIInChI=1S/C9H7ClN2O/c10-8-6-7-2-1-3-11-9(7)12(8)4-5-13/h1-3,5-6H,4H2
InChIKeyABVCVLRPCXXPCH-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.89
Rot. Bonds2

About 2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde

2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde (PubChem CID 117223862) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
PubChem CID117223862
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
SMILESO=CCn1c(Cl)cc2cccnc21
InChIInChI=1S/C9H7ClN2O/c10-8-6-7-2-1-3-11-9(7)12(8)4-5-13/h1-3,5-6H,4H2
InChIKeyABVCVLRPCXXPCH-UHFFFAOYSA-N
XLogP1.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpyrrolo[2,3-b]pyridin-1-yl)propan-2-ol
CID 117223855
N-methyl-N-[methyl-[(1-propylpyrrolo[2,3-b]pyridin-2-yl)methyl]amino]formamide
CID 176950346
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde
CID 58710621
methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate
CID 126970418
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401
1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
CID 7621241
6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 152676816
2-quinolin-7-ylacetaldehyde
CID 22630864
N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide
CID 174791861
2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde
CID 89031622
2-methyl-1-oxidopyrrolo[2,3-b]pyridine
CID 142719673
1-chloro-1,8-naphthyridin-2-one
CID 154368261

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde?
The IUPAC name of 2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde (CID 117223862) is 2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde is O=CCn1c(Cl)cc2cccnc21.
What is the InChIKey of 2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde?
The InChIKey is ABVCVLRPCXXPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-8-6-7-2-1-3-11-9(7)12(8)4-5-13/h1-3,5-6H,4H2.
What are the key properties of 2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde?
2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde has a molecular weight of 194.62 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde is sourced from PubChem (CID 117223862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).