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

C13H15IN2 — CID 59238866

IUPAC5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2ncc(C3CCCCC3)cc12
InChIInChI=1S/C13H15IN2/c14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)
InChIKeyKRQOCBWSCGQELK-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.22
Rot. Bonds1

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

5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59238866) has the molecular formula C13H15IN2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
PubChem CID59238866
Molecular FormulaC13H15IN2
Molecular Weight326.18 g/mol
Exact Mass326.03
IUPAC Name5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2ncc(C3CCCCC3)cc12
InChIInChI=1S/C13H15IN2/c14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)
InChIKeyKRQOCBWSCGQELK-UHFFFAOYSA-N
XLogP4.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine (CID 59238866) is 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine is Ic1c[nH]c2ncc(C3CCCCC3)cc12.
What is the InChIKey of 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KRQOCBWSCGQELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2/c14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16).
What are the key properties of 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine?
5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 326.18 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59238866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).