1-chlorooctane;pyridine

C13H22ClN — CID 19599073

IUPAC1-chlorooctane;pyridine
SMILESCCCCCCCCCl.c1ccncc1
InChIInChI=1S/C8H17Cl.C5H5N/c1-2-3-4-5-6-7-8-9;1-2-4-6-5-3-1/h2-8H2,1H3;1-5H
InChIKeyYVAVXNIHMSVKKD-UHFFFAOYSA-N
MW227.78 g/mol
LogP4.67
Rot. Bonds6

About 1-chlorooctane;pyridine

1-chlorooctane;pyridine (PubChem CID 19599073) has the molecular formula C13H22ClN and a molecular weight of 227.78 g/mol. Its IUPAC name is 1-chlorooctane;pyridine.

Molecular Properties

Compound Name1-chlorooctane;pyridine
PubChem CID19599073
Molecular FormulaC13H22ClN
Molecular Weight227.78 g/mol
Exact Mass227.14
IUPAC Name1-chlorooctane;pyridine
SMILESCCCCCCCCCl.c1ccncc1
InChIInChI=1S/C8H17Cl.C5H5N/c1-2-3-4-5-6-7-8-9;1-2-4-6-5-3-1/h2-8H2,1H3;1-5H
InChIKeyYVAVXNIHMSVKKD-UHFFFAOYSA-N
XLogP4.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.78
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-chlorooctane;pyridine?
The IUPAC name of 1-chlorooctane;pyridine (CID 19599073) is 1-chlorooctane;pyridine.
What is the SMILES notation for 1-chlorooctane;pyridine?
The canonical SMILES for 1-chlorooctane;pyridine is CCCCCCCCCl.c1ccncc1.
What is the InChIKey of 1-chlorooctane;pyridine?
The InChIKey is YVAVXNIHMSVKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl.C5H5N/c1-2-3-4-5-6-7-8-9;1-2-4-6-5-3-1/h2-8H2,1H3;1-5H.
What are the key properties of 1-chlorooctane;pyridine?
1-chlorooctane;pyridine has a molecular weight of 227.78 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorooctane;pyridine is sourced from PubChem (CID 19599073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).