2,6-dichloro-3-(octoxymethyl)pyridine

C14H21Cl2NO — CID 106994491

IUPAC2,6-dichloro-3-(octoxymethyl)pyridine
SMILESCCCCCCCCOCc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-2-3-4-5-6-7-10-18-11-12-8-9-13(15)17-14(12)16/h8-9H,2-7,10-11H2,1H3
InChIKeyVLHUDSMOPCWHCJ-UHFFFAOYSA-N
MW290.23 g/mol
LogP5.27
Rot. Bonds9

About 2,6-dichloro-3-(octoxymethyl)pyridine

2,6-dichloro-3-(octoxymethyl)pyridine (PubChem CID 106994491) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 2,6-dichloro-3-(octoxymethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(octoxymethyl)pyridine
PubChem CID106994491
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name2,6-dichloro-3-(octoxymethyl)pyridine
SMILESCCCCCCCCOCc1ccc(Cl)nc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-2-3-4-5-6-7-10-18-11-12-8-9-13(15)17-14(12)16/h8-9H,2-7,10-11H2,1H3
InChIKeyVLHUDSMOPCWHCJ-UHFFFAOYSA-N
XLogP5.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.23
LogP ≤ 55.27
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

2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine
CID 106994670
2,6-dichloro-3-(2-propan-2-yloxyethoxymethyl)pyridine
CID 106994443
2-chloro-5-(heptoxymethyl)pyridine
CID 43128041
2,6-dichloro-3-propylpyridine
CID 23131294
4-chloro-2-(octoxymethyl)thieno[2,3-d]pyrimidine
CID 62188659
1-(hexoxymethyl)naphthalene
CID 18427527
2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine
CID 106994675
3-(heptoxymethyl)quinolin-2-amine
CID 62194119
4-(hexadecoxymethyl)benzene-1,3-diamine
CID 139899146
6-chloro-2-heptoxypyridin-3-amine
CID 115474479
2,6-dichloro-3-(1-methoxypropan-2-yloxymethyl)pyridine
CID 106994598
5-(hexoxymethyl)-2-methylquinolin-8-ol
CID 15817747

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(octoxymethyl)pyridine?
The IUPAC name of 2,6-dichloro-3-(octoxymethyl)pyridine (CID 106994491) is 2,6-dichloro-3-(octoxymethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-(octoxymethyl)pyridine?
The canonical SMILES for 2,6-dichloro-3-(octoxymethyl)pyridine is CCCCCCCCOCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-(octoxymethyl)pyridine?
The InChIKey is VLHUDSMOPCWHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-2-3-4-5-6-7-10-18-11-12-8-9-13(15)17-14(12)16/h8-9H,2-7,10-11H2,1H3.
What are the key properties of 2,6-dichloro-3-(octoxymethyl)pyridine?
2,6-dichloro-3-(octoxymethyl)pyridine has a molecular weight of 290.23 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(octoxymethyl)pyridine is sourced from PubChem (CID 106994491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).