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

C11H12N2O2 — CID 84672242

IUPAC7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESCC(C)Oc1ccnc2c(C=O)c[nH]c12
InChIInChI=1S/C11H12N2O2/c1-7(2)15-9-3-4-12-10-8(6-14)5-13-11(9)10/h3-7,13H,1-2H3
InChIKeyZRGRDIDOPRKMNT-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.16
Rot. Bonds3

About 7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde

7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (PubChem CID 84672242) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
PubChem CID84672242
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESCC(C)Oc1ccnc2c(C=O)c[nH]c12
InChIInChI=1S/C11H12N2O2/c1-7(2)15-9-3-4-12-10-8(6-14)5-13-11(9)10/h3-7,13H,1-2H3
InChIKeyZRGRDIDOPRKMNT-UHFFFAOYSA-N
XLogP2.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 46856450
3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde
CID 84684645
7-(difluoromethoxy)-1H-benzimidazole-4-carbaldehyde
CID 131545387
3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
CID 24801016
2-chloro-3-fluoro-4-propan-2-yloxypyridine
CID 91620513
4-propan-2-yloxyquinolin-8-amine
CID 83060477
4-methoxyquinoline-8-carbaldehyde
CID 171397329
(7-ethoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine
CID 84663288
1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde
CID 53413137
4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde
CID 166972466
methoxymethane;4-propan-2-yloxypyrimidine-2-carbaldehyde
CID 142960710
5-methylsulfanyl-2-propan-2-yloxybenzaldehyde
CID 164894912

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The IUPAC name of 7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (CID 84672242) is 7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The canonical SMILES for 7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde is CC(C)Oc1ccnc2c(C=O)c[nH]c12.
What is the InChIKey of 7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The InChIKey is ZRGRDIDOPRKMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)15-9-3-4-12-10-8(6-14)5-13-11(9)10/h3-7,13H,1-2H3.
What are the key properties of 7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 84672242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).