2-bromo-5-(4-methoxybutyl)pyridine

C10H14BrNO — CID 162151692

IUPAC2-bromo-5-(4-methoxybutyl)pyridine
SMILESCOCCCCc1ccc(Br)nc1
InChIInChI=1S/C10H14BrNO/c1-13-7-3-2-4-9-5-6-10(11)12-8-9/h5-6,8H,2-4,7H2,1H3
InChIKeyZLHJCQBSWLSYHA-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.81
Rot. Bonds5

About 2-bromo-5-(4-methoxybutyl)pyridine

2-bromo-5-(4-methoxybutyl)pyridine (PubChem CID 162151692) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-bromo-5-(4-methoxybutyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(4-methoxybutyl)pyridine
PubChem CID162151692
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-bromo-5-(4-methoxybutyl)pyridine
SMILESCOCCCCc1ccc(Br)nc1
InChIInChI=1S/C10H14BrNO/c1-13-7-3-2-4-9-5-6-10(11)12-8-9/h5-6,8H,2-4,7H2,1H3
InChIKeyZLHJCQBSWLSYHA-UHFFFAOYSA-N
XLogP2.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.81
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'}

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Related Compounds

2-bromo-5-pentylpyridine
CID 170248675
4-(6-bromo-3-pyridinyl)butan-1-ol
CID 87305203
2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
CID 87208339
1-ethyl-4-(4-methoxybutyl)benzene
CID 143010325
2-(6-bromo-3-pyridinyl)ethanol
CID 22473220
2-bromo-5-(2-chloroethyl)pyridine
CID 130116129
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
2-[4-(4-ethylphenyl)phenyl]-5-(3-methoxypropyl)pyrimidine
CID 67858800
2-[4-(5-heptyl-2-pyridinyl)phenyl]-5-(8-methoxyoctyl)pyrimidine
CID 139621555
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-methoxybutyl)pyridine?
The IUPAC name of 2-bromo-5-(4-methoxybutyl)pyridine (CID 162151692) is 2-bromo-5-(4-methoxybutyl)pyridine.
What is the SMILES notation for 2-bromo-5-(4-methoxybutyl)pyridine?
The canonical SMILES for 2-bromo-5-(4-methoxybutyl)pyridine is COCCCCc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-(4-methoxybutyl)pyridine?
The InChIKey is ZLHJCQBSWLSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-13-7-3-2-4-9-5-6-10(11)12-8-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2-bromo-5-(4-methoxybutyl)pyridine?
2-bromo-5-(4-methoxybutyl)pyridine has a molecular weight of 244.13 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-methoxybutyl)pyridine is sourced from PubChem (CID 162151692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).