2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride

C9H12BrClN2O — CID 56831277

IUPAC2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride
SMILESBrc1cccc(OC2CCNC2)n1.Cl
InChIInChI=1S/C9H11BrN2O.ClH/c10-8-2-1-3-9(12-8)13-7-4-5-11-6-7;/h1-3,7,11H,4-6H2;1H
InChIKeyKPPWZMILWSKPGR-UHFFFAOYSA-N
MW279.56 g/mol
LogP2.01
Rot. Bonds2

About 2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride

2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride (PubChem CID 56831277) has the molecular formula C9H12BrClN2O and a molecular weight of 279.56 g/mol. Its IUPAC name is 2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride
PubChem CID56831277
Molecular FormulaC9H12BrClN2O
Molecular Weight279.56 g/mol
Exact Mass277.98
IUPAC Name2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride
SMILESBrc1cccc(OC2CCNC2)n1.Cl
InChIInChI=1S/C9H11BrN2O.ClH/c10-8-2-1-3-9(12-8)13-7-4-5-11-6-7;/h1-3,7,11H,4-6H2;1H
InChIKeyKPPWZMILWSKPGR-UHFFFAOYSA-N
XLogP2.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pyrrolidin-3-yloxypyridine;hydrochloride?
The IUPAC name of 2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride (CID 56831277) is 2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride.
What is the SMILES notation for 2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride?
The canonical SMILES for 2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride is Brc1cccc(OC2CCNC2)n1.Cl.
What is the InChIKey of 2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride?
The InChIKey is KPPWZMILWSKPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O.ClH/c10-8-2-1-3-9(12-8)13-7-4-5-11-6-7;/h1-3,7,11H,4-6H2;1H.
What are the key properties of 2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride?
2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride has a molecular weight of 279.56 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride is sourced from PubChem (CID 56831277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).