5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine

C11H12BrIN2 — CID 154029167

IUPAC5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine
SMILESCCCCn1cc(I)c2cc(Br)ncc21
InChIInChI=1S/C11H12BrIN2/c1-2-3-4-15-7-9(13)8-5-11(12)14-6-10(8)15/h5-7H,2-4H2,1H3
InChIKeyBUTDYFBDQXEXPZ-UHFFFAOYSA-N
MW379.04 g/mol
LogP4.20
Rot. Bonds3

About 5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine

5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine (PubChem CID 154029167) has the molecular formula C11H12BrIN2 and a molecular weight of 379.04 g/mol. Its IUPAC name is 5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine
PubChem CID154029167
Molecular FormulaC11H12BrIN2
Molecular Weight379.04 g/mol
Exact Mass377.92
IUPAC Name5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine
SMILESCCCCn1cc(I)c2cc(Br)ncc21
InChIInChI=1S/C11H12BrIN2/c1-2-3-4-15-7-9(13)8-5-11(12)14-6-10(8)15/h5-7H,2-4H2,1H3
InChIKeyBUTDYFBDQXEXPZ-UHFFFAOYSA-N
XLogP4.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.04
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-1H-pyrrolo[2,3-c]pyridine
CID 23298373
3-Bromo-1H-pyrrolo[2,3-c]pyridine
CID 12410856
4-Bromo-1H-pyrrolo(2,3-c)pyridine
CID 12510055
1-Bromo-9-butylpyrido[3,4-b]indole
CID 49846031
1-Bromo-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 49846034
1-(4-Bromophenyl)pyrrolo[2,3-c]pyridine
CID 57400878
8-Bromopyrrolo[1,2-a]pyrazine
CID 10774292
7-Bromo-6-azaindole
CID 19696456
4,7-Dibromo-1H-pyrrolo(2,3-c)pyridine
CID 53412782
5-bromo-1H-pyrrolo[2,3-c]pyridine
CID 53443442
4-Bromo-1-methyl-1H-pyrazolo(3,4-c)pyridine
CID 57606936
3-bromo-1-methyl-1H-pyrazolo(3,4-c)pyridine
CID 66760539

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine?
The IUPAC name of 5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine (CID 154029167) is 5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine is CCCCn1cc(I)c2cc(Br)ncc21.
What is the InChIKey of 5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine?
The InChIKey is BUTDYFBDQXEXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrIN2/c1-2-3-4-15-7-9(13)8-5-11(12)14-6-10(8)15/h5-7H,2-4H2,1H3.
What are the key properties of 5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine?
5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine has a molecular weight of 379.04 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-butyl-3-iodopyrrolo[2,3-c]pyridine is sourced from PubChem (CID 154029167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).