2-bromo-6-pyrrol-1-ylpyridine

C9H7BrN2 — CID 43520717

IUPAC2-bromo-6-pyrrol-1-ylpyridine
SMILESBrc1cccc(-n2cccc2)n1
InChIInChI=1S/C9H7BrN2/c10-8-4-3-5-9(11-8)12-6-1-2-7-12/h1-7H
InChIKeyPCDJQKABUKINGP-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.63
Rot. Bonds1

About 2-bromo-6-pyrrol-1-ylpyridine

2-bromo-6-pyrrol-1-ylpyridine (PubChem CID 43520717) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-bromo-6-pyrrol-1-ylpyridine.

Molecular Properties

Compound Name2-bromo-6-pyrrol-1-ylpyridine
PubChem CID43520717
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name2-bromo-6-pyrrol-1-ylpyridine
SMILESBrc1cccc(-n2cccc2)n1
InChIInChI=1S/C9H7BrN2/c10-8-4-3-5-9(11-8)12-6-1-2-7-12/h1-7H
InChIKeyPCDJQKABUKINGP-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-pyrrol-1-ylpyridine?
The IUPAC name of 2-bromo-6-pyrrol-1-ylpyridine (CID 43520717) is 2-bromo-6-pyrrol-1-ylpyridine.
What is the SMILES notation for 2-bromo-6-pyrrol-1-ylpyridine?
The canonical SMILES for 2-bromo-6-pyrrol-1-ylpyridine is Brc1cccc(-n2cccc2)n1.
What is the InChIKey of 2-bromo-6-pyrrol-1-ylpyridine?
The InChIKey is PCDJQKABUKINGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-8-4-3-5-9(11-8)12-6-1-2-7-12/h1-7H.
What are the key properties of 2-bromo-6-pyrrol-1-ylpyridine?
2-bromo-6-pyrrol-1-ylpyridine has a molecular weight of 223.07 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-pyrrol-1-ylpyridine is sourced from PubChem (CID 43520717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).