2-bromo-5-(3-chloropropoxy)pyridine

C8H9BrClNO — CID 137352816

IUPAC2-bromo-5-(3-chloropropoxy)pyridine
SMILESClCCCOc1ccc(Br)nc1
InChIInChI=1S/C8H9BrClNO/c9-8-3-2-7(6-11-8)12-5-1-4-10/h2-3,6H,1,4-5H2
InChIKeyPKMBQEGMRFRJKQ-UHFFFAOYSA-N
MW250.52 g/mol
LogP2.85
Rot. Bonds4

About 2-bromo-5-(3-chloropropoxy)pyridine

2-bromo-5-(3-chloropropoxy)pyridine (PubChem CID 137352816) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is 2-bromo-5-(3-chloropropoxy)pyridine.

Molecular Properties

Compound Name2-bromo-5-(3-chloropropoxy)pyridine
PubChem CID137352816
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name2-bromo-5-(3-chloropropoxy)pyridine
SMILESClCCCOc1ccc(Br)nc1
InChIInChI=1S/C8H9BrClNO/c9-8-3-2-7(6-11-8)12-5-1-4-10/h2-3,6H,1,4-5H2
InChIKeyPKMBQEGMRFRJKQ-UHFFFAOYSA-N
XLogP2.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87199523
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2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
CID 162753112
2-bromo-5-but-3-ynoxypyridine
CID 103864136
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CID 161220213
1,4-bis(3-chloropropoxy)benzene
CID 20523958
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CID 107396761
2-bromo-5-pent-3-ynoxypyridine
CID 104743964
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-chloropropoxy)pyridine?
The IUPAC name of 2-bromo-5-(3-chloropropoxy)pyridine (CID 137352816) is 2-bromo-5-(3-chloropropoxy)pyridine.
What is the SMILES notation for 2-bromo-5-(3-chloropropoxy)pyridine?
The canonical SMILES for 2-bromo-5-(3-chloropropoxy)pyridine is ClCCCOc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-(3-chloropropoxy)pyridine?
The InChIKey is PKMBQEGMRFRJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO/c9-8-3-2-7(6-11-8)12-5-1-4-10/h2-3,6H,1,4-5H2.
What are the key properties of 2-bromo-5-(3-chloropropoxy)pyridine?
2-bromo-5-(3-chloropropoxy)pyridine has a molecular weight of 250.52 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-chloropropoxy)pyridine is sourced from PubChem (CID 137352816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).