3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine

C10H11IN2O — CID 24801016

IUPAC3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Oc1ccnc2[nH]cc(I)c12
InChIInChI=1S/C10H11IN2O/c1-6(2)14-8-3-4-12-10-9(8)7(11)5-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyGVMNNCFBBHBMQA-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.95
Rot. Bonds2

About 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine

3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24801016) has the molecular formula C10H11IN2O and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID24801016
Molecular FormulaC10H11IN2O
Molecular Weight302.12 g/mol
Exact Mass301.99
IUPAC Name3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Oc1ccnc2[nH]cc(I)c12
InChIInChI=1S/C10H11IN2O/c1-6(2)14-8-3-4-12-10-9(8)7(11)5-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyGVMNNCFBBHBMQA-UHFFFAOYSA-N
XLogP2.95
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine (CID 24801016) is 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine is CC(C)Oc1ccnc2[nH]cc(I)c12.
What is the InChIKey of 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GVMNNCFBBHBMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O/c1-6(2)14-8-3-4-12-10-9(8)7(11)5-13-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 302.12 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24801016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).