2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine

C12H17Cl2NO — CID 116519503

IUPAC2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine
SMILESCC(C)(C)CCOCc1cnc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-12(2,3)4-5-16-8-9-7-15-11(14)6-10(9)13/h6-7H,4-5,8H2,1-3H3
InChIKeyCHQXIWLLCSTLLL-UHFFFAOYSA-N
MW262.18 g/mol
LogP4.34
Rot. Bonds4

About 2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine

2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine (PubChem CID 116519503) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine
PubChem CID116519503
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine
SMILESCC(C)(C)CCOCc1cnc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-12(2,3)4-5-16-8-9-7-15-11(14)6-10(9)13/h6-7H,4-5,8H2,1-3H3
InChIKeyCHQXIWLLCSTLLL-UHFFFAOYSA-N
XLogP4.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 54.34
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

2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine
CID 116519519
tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
CID 131749614
2-chloro-4-(3,3-dimethylbutoxymethyl)pyridine
CID 66231568
3-chloro-4-(3,3-dimethylbutoxymethyl)benzonitrile
CID 102665948
5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317
2,4-dichloro-5-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 116519370
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
CID 116519513
2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine
CID 116519336
2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 116519425
2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
[5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol
CID 114920735
2-chloro-3-(3,3-dimethylbutoxymethyl)-7-methoxyquinoline
CID 66234728

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine?
The IUPAC name of 2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine (CID 116519503) is 2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine.
What is the SMILES notation for 2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine?
The canonical SMILES for 2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine is CC(C)(C)CCOCc1cnc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine?
The InChIKey is CHQXIWLLCSTLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-12(2,3)4-5-16-8-9-7-15-11(14)6-10(9)13/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine?
2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine has a molecular weight of 262.18 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine is sourced from PubChem (CID 116519503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).