1-chloro-3-iodopyrrolo[2,3-b]pyridine

C7H4ClIN2 — CID 141210640

IUPAC1-chloro-3-iodopyrrolo[2,3-b]pyridine
SMILESCln1cc(I)c2cccnc21
InChIInChI=1S/C7H4ClIN2/c8-11-4-6(9)5-2-1-3-10-7(5)11/h1-4H
InChIKeyBFVORJLELVNSGK-UHFFFAOYSA-N
MW278.48 g/mol
LogP2.64
Rot. Bonds

About 1-chloro-3-iodopyrrolo[2,3-b]pyridine

1-chloro-3-iodopyrrolo[2,3-b]pyridine (PubChem CID 141210640) has the molecular formula C7H4ClIN2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-chloro-3-iodopyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-chloro-3-iodopyrrolo[2,3-b]pyridine
PubChem CID141210640
Molecular FormulaC7H4ClIN2
Molecular Weight278.48 g/mol
Exact Mass277.91
IUPAC Name1-chloro-3-iodopyrrolo[2,3-b]pyridine
SMILESCln1cc(I)c2cccnc21
InChIInChI=1S/C7H4ClIN2/c8-11-4-6(9)5-2-1-3-10-7(5)11/h1-4H
InChIKeyBFVORJLELVNSGK-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
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 1-chloro-3-iodopyrrolo[2,3-b]pyridine?
The IUPAC name of 1-chloro-3-iodopyrrolo[2,3-b]pyridine (CID 141210640) is 1-chloro-3-iodopyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-chloro-3-iodopyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-chloro-3-iodopyrrolo[2,3-b]pyridine is Cln1cc(I)c2cccnc21.
What is the InChIKey of 1-chloro-3-iodopyrrolo[2,3-b]pyridine?
The InChIKey is BFVORJLELVNSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2/c8-11-4-6(9)5-2-1-3-10-7(5)11/h1-4H.
What are the key properties of 1-chloro-3-iodopyrrolo[2,3-b]pyridine?
1-chloro-3-iodopyrrolo[2,3-b]pyridine has a molecular weight of 278.48 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodopyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141210640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).