4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine

C14H11IN2O — CID 130119797

IUPAC4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c(OCc2ccccc2)cnc2[nH]ccc12
InChIInChI=1S/C14H11IN2O/c15-13-11-6-7-16-14(11)17-8-12(13)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyCCADKXAWZPPDAR-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.75
Rot. Bonds3

About 4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine

4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 130119797) has the molecular formula C14H11IN2O and a molecular weight of 350.16 g/mol. Its IUPAC name is 4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID130119797
Molecular FormulaC14H11IN2O
Molecular Weight350.16 g/mol
Exact Mass349.99
IUPAC Name4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c(OCc2ccccc2)cnc2[nH]ccc12
InChIInChI=1S/C14H11IN2O/c15-13-11-6-7-16-14(11)17-8-12(13)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyCCADKXAWZPPDAR-UHFFFAOYSA-N
XLogP3.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.75
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 4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine (CID 130119797) is 4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine is Ic1c(OCc2ccccc2)cnc2[nH]ccc12.
What is the InChIKey of 4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CCADKXAWZPPDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O/c15-13-11-6-7-16-14(11)17-8-12(13)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of 4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine?
4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 350.16 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 130119797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).