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

C7H4ClIN2 — CID 11550874

IUPAC4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]cc(I)c12
InChIInChI=1S/C7H4ClIN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11)
InChIKeyIDEYYMSXMIFGMV-UHFFFAOYSA-N
MW278.48 g/mol
LogP2.82
Rot. Bonds

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

4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11550874) has the molecular formula C7H4ClIN2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine
PubChem CID11550874
Molecular FormulaC7H4ClIN2
Molecular Weight278.48 g/mol
Exact Mass277.91
IUPAC Name4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]cc(I)c12
InChIInChI=1S/C7H4ClIN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11)
InChIKeyIDEYYMSXMIFGMV-UHFFFAOYSA-N
XLogP2.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 52.82
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 4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine (CID 11550874) is 4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine is Clc1ccnc2[nH]cc(I)c12.
What is the InChIKey of 4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IDEYYMSXMIFGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11).
What are the key properties of 4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine?
4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 278.48 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11550874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).