2-bromo-5-pent-3-ynoxypyridine

C10H10BrNO — CID 104743964

IUPAC2-bromo-5-pent-3-ynoxypyridine
SMILESCC#CCCOc1ccc(Br)nc1
InChIInChI=1S/C10H10BrNO/c1-2-3-4-7-13-9-5-6-10(11)12-8-9/h5-6,8H,4,7H2,1H3
InChIKeyHISJPUSRBWVNCF-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.64
Rot. Bonds3

About 2-bromo-5-pent-3-ynoxypyridine

2-bromo-5-pent-3-ynoxypyridine (PubChem CID 104743964) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-bromo-5-pent-3-ynoxypyridine.

Molecular Properties

Compound Name2-bromo-5-pent-3-ynoxypyridine
PubChem CID104743964
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-bromo-5-pent-3-ynoxypyridine
SMILESCC#CCCOc1ccc(Br)nc1
InChIInChI=1S/C10H10BrNO/c1-2-3-4-7-13-9-5-6-10(11)12-8-9/h5-6,8H,4,7H2,1H3
InChIKeyHISJPUSRBWVNCF-UHFFFAOYSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.64
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-pent-3-ynoxypyridine?
The IUPAC name of 2-bromo-5-pent-3-ynoxypyridine (CID 104743964) is 2-bromo-5-pent-3-ynoxypyridine.
What is the SMILES notation for 2-bromo-5-pent-3-ynoxypyridine?
The canonical SMILES for 2-bromo-5-pent-3-ynoxypyridine is CC#CCCOc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-pent-3-ynoxypyridine?
The InChIKey is HISJPUSRBWVNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-2-3-4-7-13-9-5-6-10(11)12-8-9/h5-6,8H,4,7H2,1H3.
What are the key properties of 2-bromo-5-pent-3-ynoxypyridine?
2-bromo-5-pent-3-ynoxypyridine has a molecular weight of 240.10 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-pent-3-ynoxypyridine is sourced from PubChem (CID 104743964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).