3-bromo-5-chloro-2-pent-4-enoxypyridine

C10H11BrClNO — CID 114837799

IUPAC3-bromo-5-chloro-2-pent-4-enoxypyridine
SMILESC=CCCCOc1ncc(Cl)cc1Br
InChIInChI=1S/C10H11BrClNO/c1-2-3-4-5-14-10-9(11)6-8(12)7-13-10/h2,6-7H,1,3-5H2
InChIKeyVHTDPTMMNDVCLD-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.84
Rot. Bonds5

About 3-bromo-5-chloro-2-pent-4-enoxypyridine

3-bromo-5-chloro-2-pent-4-enoxypyridine (PubChem CID 114837799) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-pent-4-enoxypyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-pent-4-enoxypyridine
PubChem CID114837799
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name3-bromo-5-chloro-2-pent-4-enoxypyridine
SMILESC=CCCCOc1ncc(Cl)cc1Br
InChIInChI=1S/C10H11BrClNO/c1-2-3-4-5-14-10-9(11)6-8(12)7-13-10/h2,6-7H,1,3-5H2
InChIKeyVHTDPTMMNDVCLD-UHFFFAOYSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-pent-4-enoxypyridine?
The IUPAC name of 3-bromo-5-chloro-2-pent-4-enoxypyridine (CID 114837799) is 3-bromo-5-chloro-2-pent-4-enoxypyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-pent-4-enoxypyridine?
The canonical SMILES for 3-bromo-5-chloro-2-pent-4-enoxypyridine is C=CCCCOc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-2-pent-4-enoxypyridine?
The InChIKey is VHTDPTMMNDVCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-2-3-4-5-14-10-9(11)6-8(12)7-13-10/h2,6-7H,1,3-5H2.
What are the key properties of 3-bromo-5-chloro-2-pent-4-enoxypyridine?
3-bromo-5-chloro-2-pent-4-enoxypyridine has a molecular weight of 276.56 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-pent-4-enoxypyridine is sourced from PubChem (CID 114837799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).