2-(bromomethyl)-1H-pyrrole;pyridine

C10H11BrN2 — CID 175606629

IUPAC2-(bromomethyl)-1H-pyrrole;pyridine
SMILESBrCc1ccc[nH]1.c1ccncc1
InChIInChI=1S/C5H6BrN.C5H5N/c6-4-5-2-1-3-7-5;1-2-4-6-5-3-1/h1-3,7H,4H2;1-5H
InChIKeyBBLPIWNNWNDYLY-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.99
Rot. Bonds1

About 2-(bromomethyl)-1H-pyrrole;pyridine

2-(bromomethyl)-1H-pyrrole;pyridine (PubChem CID 175606629) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-(bromomethyl)-1H-pyrrole;pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-1H-pyrrole;pyridine
PubChem CID175606629
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name2-(bromomethyl)-1H-pyrrole;pyridine
SMILESBrCc1ccc[nH]1.c1ccncc1
InChIInChI=1S/C5H6BrN.C5H5N/c6-4-5-2-1-3-7-5;1-2-4-6-5-3-1/h1-3,7H,4H2;1-5H
InChIKeyBBLPIWNNWNDYLY-UHFFFAOYSA-N
XLogP2.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1H-pyrrole;pyridine?
The IUPAC name of 2-(bromomethyl)-1H-pyrrole;pyridine (CID 175606629) is 2-(bromomethyl)-1H-pyrrole;pyridine.
What is the SMILES notation for 2-(bromomethyl)-1H-pyrrole;pyridine?
The canonical SMILES for 2-(bromomethyl)-1H-pyrrole;pyridine is BrCc1ccc[nH]1.c1ccncc1.
What is the InChIKey of 2-(bromomethyl)-1H-pyrrole;pyridine?
The InChIKey is BBLPIWNNWNDYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN.C5H5N/c6-4-5-2-1-3-7-5;1-2-4-6-5-3-1/h1-3,7H,4H2;1-5H.
What are the key properties of 2-(bromomethyl)-1H-pyrrole;pyridine?
2-(bromomethyl)-1H-pyrrole;pyridine has a molecular weight of 239.12 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1H-pyrrole;pyridine is sourced from PubChem (CID 175606629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).