4-chloro-2-(octan-2-yloxymethyl)pyridine

C14H22ClNO — CID 79256215

IUPAC4-chloro-2-(octan-2-yloxymethyl)pyridine
SMILESCCCCCCC(C)OCc1cc(Cl)ccn1
InChIInChI=1S/C14H22ClNO/c1-3-4-5-6-7-12(2)17-11-14-10-13(15)8-9-16-14/h8-10,12H,3-7,11H2,1-2H3
InChIKeyZUGGWKWYJQUTSR-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.61
Rot. Bonds8

About 4-chloro-2-(octan-2-yloxymethyl)pyridine

4-chloro-2-(octan-2-yloxymethyl)pyridine (PubChem CID 79256215) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-chloro-2-(octan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(octan-2-yloxymethyl)pyridine
PubChem CID79256215
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-chloro-2-(octan-2-yloxymethyl)pyridine
SMILESCCCCCCC(C)OCc1cc(Cl)ccn1
InChIInChI=1S/C14H22ClNO/c1-3-4-5-6-7-12(2)17-11-14-10-13(15)8-9-16-14/h8-10,12H,3-7,11H2,1-2H3
InChIKeyZUGGWKWYJQUTSR-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.61
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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Related Compounds

4-chloro-2-heptylpyridine
CID 166820805
N-methyl-4-(octan-2-yloxymethyl)pyridin-2-amine
CID 55075961
5-(octan-2-yloxymethyl)pyrazin-2-amine
CID 103058562
4-(chloromethyl)-2-(octan-2-yloxymethyl)-1,3-thiazole
CID 43138236
5-(octan-2-yloxymethyl)pyridin-2-amine
CID 55044841
2-bromo-4-fluoro-1-(octan-2-yloxymethyl)benzene
CID 63457034
2-bromo-5-(octan-2-yloxymethyl)thiophene
CID 63456546
3-(octan-2-yloxymethyl)pyridine-2-carbothioamide
CID 55128321
1-(3,4-dichlorophenyl)-2-octan-2-yloxyethanone
CID 43800020
1-chloro-4-(3-pentoxybutoxy)benzene
CID 173323454
2-(octan-2-yloxymethyl)aniline
CID 43127032
2-ethoxytridecane
CID 54143367

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(octan-2-yloxymethyl)pyridine?
The IUPAC name of 4-chloro-2-(octan-2-yloxymethyl)pyridine (CID 79256215) is 4-chloro-2-(octan-2-yloxymethyl)pyridine.
What is the SMILES notation for 4-chloro-2-(octan-2-yloxymethyl)pyridine?
The canonical SMILES for 4-chloro-2-(octan-2-yloxymethyl)pyridine is CCCCCCC(C)OCc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-(octan-2-yloxymethyl)pyridine?
The InChIKey is ZUGGWKWYJQUTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-4-5-6-7-12(2)17-11-14-10-13(15)8-9-16-14/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 4-chloro-2-(octan-2-yloxymethyl)pyridine?
4-chloro-2-(octan-2-yloxymethyl)pyridine has a molecular weight of 255.79 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(octan-2-yloxymethyl)pyridine is sourced from PubChem (CID 79256215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).