2,6-bis(chloromethyl)-3-dodecoxypyridine

C19H31Cl2NO — CID 11057499

IUPAC2,6-bis(chloromethyl)-3-dodecoxypyridine
SMILESCCCCCCCCCCCCOc1ccc(CCl)nc1CCl
InChIInChI=1S/C19H31Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-14-23-19-13-12-17(15-20)22-18(19)16-21/h12-13H,2-11,14-16H2,1H3
InChIKeyBECQWIMJDLKNKF-UHFFFAOYSA-N
MW360.37 g/mol
LogP6.86
Rot. Bonds14

About 2,6-bis(chloromethyl)-3-dodecoxypyridine

2,6-bis(chloromethyl)-3-dodecoxypyridine (PubChem CID 11057499) has the molecular formula C19H31Cl2NO and a molecular weight of 360.37 g/mol. Its IUPAC name is 2,6-bis(chloromethyl)-3-dodecoxypyridine.

Molecular Properties

Compound Name2,6-bis(chloromethyl)-3-dodecoxypyridine
PubChem CID11057499
Molecular FormulaC19H31Cl2NO
Molecular Weight360.37 g/mol
Exact Mass359.18
IUPAC Name2,6-bis(chloromethyl)-3-dodecoxypyridine
SMILESCCCCCCCCCCCCOc1ccc(CCl)nc1CCl
InChIInChI=1S/C19H31Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-14-23-19-13-12-17(15-20)22-18(19)16-21/h12-13H,2-11,14-16H2,1H3
InChIKeyBECQWIMJDLKNKF-UHFFFAOYSA-N
XLogP6.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.37
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(chloromethyl)-6-octoxypyridazine
CID 61269519
2-(chloromethyl)-6-heptoxypyridine
CID 63446220
N-[[6-[(benzylamino)methyl]-5-dodecoxy-2-pyridinyl]methyl]-1-phenylmethanamine
CID 101333072
4-(chloromethyl)-1,2-dioctoxybenzene
CID 86084009
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
CID 79169037
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
CID 106454021
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
1,2-bis(chloromethyl)-4,5-dioctoxybenzene
CID 139761510
2-(chloromethyl)-1-hexoxy-4-methylbenzene
CID 63535574
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1,4,5,8-tetrahexoxyanthracene
CID 101142141

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(chloromethyl)-3-dodecoxypyridine?
The IUPAC name of 2,6-bis(chloromethyl)-3-dodecoxypyridine (CID 11057499) is 2,6-bis(chloromethyl)-3-dodecoxypyridine.
What is the SMILES notation for 2,6-bis(chloromethyl)-3-dodecoxypyridine?
The canonical SMILES for 2,6-bis(chloromethyl)-3-dodecoxypyridine is CCCCCCCCCCCCOc1ccc(CCl)nc1CCl.
What is the InChIKey of 2,6-bis(chloromethyl)-3-dodecoxypyridine?
The InChIKey is BECQWIMJDLKNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-14-23-19-13-12-17(15-20)22-18(19)16-21/h12-13H,2-11,14-16H2,1H3.
What are the key properties of 2,6-bis(chloromethyl)-3-dodecoxypyridine?
2,6-bis(chloromethyl)-3-dodecoxypyridine has a molecular weight of 360.37 g/mol, XLogP of 6.86, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(chloromethyl)-3-dodecoxypyridine is sourced from PubChem (CID 11057499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).