2-bromo-4-pent-4-enoxypyridine

C10H12BrNO — CID 145438078

IUPAC2-bromo-4-pent-4-enoxypyridine
SMILESC=CCCCOc1ccnc(Br)c1
InChIInChI=1S/C10H12BrNO/c1-2-3-4-7-13-9-5-6-12-10(11)8-9/h2,5-6,8H,1,3-4,7H2
InChIKeyGAHZSYDHCFKSNW-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.19
Rot. Bonds5

About 2-bromo-4-pent-4-enoxypyridine

2-bromo-4-pent-4-enoxypyridine (PubChem CID 145438078) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-bromo-4-pent-4-enoxypyridine.

Molecular Properties

Compound Name2-bromo-4-pent-4-enoxypyridine
PubChem CID145438078
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-bromo-4-pent-4-enoxypyridine
SMILESC=CCCCOc1ccnc(Br)c1
InChIInChI=1S/C10H12BrNO/c1-2-3-4-7-13-9-5-6-12-10(11)8-9/h2,5-6,8H,1,3-4,7H2
InChIKeyGAHZSYDHCFKSNW-UHFFFAOYSA-N
XLogP3.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 53.19
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-hex-5-enoxybenzene
CID 146004224
1-(bromomethyl)-3-pent-4-enoxybenzene
CID 86076126
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
1-fluoro-3-pent-4-enoxybenzene
CID 64764365
4-but-3-enoxypyridine-2-carbonitrile
CID 62936255
5-pent-4-enoxybenzene-1,3-diol
CID 144789382
2-bromo-N-(2-but-3-enoxyethyl)pyridine-4-carboxamide
CID 103855736
2-chloro-4-(pent-4-enoxymethyl)pyridine
CID 79114699
1-nitro-3-pent-4-enoxybenzene
CID 11183362
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
5-pent-4-enoxypyridine-2-carbaldehyde
CID 79794228
2-bromo-6-hex-5-enoxypyridine
CID 146338486

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-pent-4-enoxypyridine?
The IUPAC name of 2-bromo-4-pent-4-enoxypyridine (CID 145438078) is 2-bromo-4-pent-4-enoxypyridine.
What is the SMILES notation for 2-bromo-4-pent-4-enoxypyridine?
The canonical SMILES for 2-bromo-4-pent-4-enoxypyridine is C=CCCCOc1ccnc(Br)c1.
What is the InChIKey of 2-bromo-4-pent-4-enoxypyridine?
The InChIKey is GAHZSYDHCFKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-3-4-7-13-9-5-6-12-10(11)8-9/h2,5-6,8H,1,3-4,7H2.
What are the key properties of 2-bromo-4-pent-4-enoxypyridine?
2-bromo-4-pent-4-enoxypyridine has a molecular weight of 242.12 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-pent-4-enoxypyridine is sourced from PubChem (CID 145438078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).