2-(2-butoxy-4-chlorophenyl)pyridine

C15H16ClNO — CID 102434681

IUPAC2-(2-butoxy-4-chlorophenyl)pyridine
SMILESCCCCOc1cc(Cl)ccc1-c1ccccn1
InChIInChI=1S/C15H16ClNO/c1-2-3-10-18-15-11-12(16)7-8-13(15)14-6-4-5-9-17-14/h4-9,11H,2-3,10H2,1H3
InChIKeyKAAOOMAJIVLTQO-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-butoxy-4-chlorophenyl)pyridine

2-(2-butoxy-4-chlorophenyl)pyridine (PubChem CID 102434681) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(2-butoxy-4-chlorophenyl)pyridine.

Molecular Properties

Compound Name2-(2-butoxy-4-chlorophenyl)pyridine
PubChem CID102434681
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(2-butoxy-4-chlorophenyl)pyridine
SMILESCCCCOc1cc(Cl)ccc1-c1ccccn1
InChIInChI=1S/C15H16ClNO/c1-2-3-10-18-15-11-12(16)7-8-13(15)14-6-4-5-9-17-14/h4-9,11H,2-3,10H2,1H3
InChIKeyKAAOOMAJIVLTQO-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxy-4-chlorophenyl)pyridine?
The IUPAC name of 2-(2-butoxy-4-chlorophenyl)pyridine (CID 102434681) is 2-(2-butoxy-4-chlorophenyl)pyridine.
What is the SMILES notation for 2-(2-butoxy-4-chlorophenyl)pyridine?
The canonical SMILES for 2-(2-butoxy-4-chlorophenyl)pyridine is CCCCOc1cc(Cl)ccc1-c1ccccn1.
What is the InChIKey of 2-(2-butoxy-4-chlorophenyl)pyridine?
The InChIKey is KAAOOMAJIVLTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-2-3-10-18-15-11-12(16)7-8-13(15)14-6-4-5-9-17-14/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 2-(2-butoxy-4-chlorophenyl)pyridine?
2-(2-butoxy-4-chlorophenyl)pyridine has a molecular weight of 261.75 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxy-4-chlorophenyl)pyridine is sourced from PubChem (CID 102434681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).