4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine

C9H8ClIN2 — CID 71090276

IUPAC4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(Cl)c2c(I)cn(C)c2n1
InChIInChI=1S/C9H8ClIN2/c1-5-3-6(10)8-7(11)4-13(2)9(8)12-5/h3-4H,1-2H3
InChIKeyHRZLHNQMQOPPKR-UHFFFAOYSA-N
MW306.53 g/mol
LogP3.14
Rot. Bonds

About 4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine

4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine (PubChem CID 71090276) has the molecular formula C9H8ClIN2 and a molecular weight of 306.53 g/mol. Its IUPAC name is 4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine
PubChem CID71090276
Molecular FormulaC9H8ClIN2
Molecular Weight306.53 g/mol
Exact Mass305.94
IUPAC Name4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(Cl)c2c(I)cn(C)c2n1
InChIInChI=1S/C9H8ClIN2/c1-5-3-6(10)8-7(11)4-13(2)9(8)12-5/h3-4H,1-2H3
InChIKeyHRZLHNQMQOPPKR-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 53.14
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 4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine (CID 71090276) is 4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine is Cc1cc(Cl)c2c(I)cn(C)c2n1.
What is the InChIKey of 4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine?
The InChIKey is HRZLHNQMQOPPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIN2/c1-5-3-6(10)8-7(11)4-13(2)9(8)12-5/h3-4H,1-2H3.
What are the key properties of 4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine?
4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine has a molecular weight of 306.53 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71090276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).