5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine

C16H17Cl2NO — CID 116519317

IUPAC5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
SMILESCC(C)(C)c1ccccc1OCc1cnc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-16(2,3)12-6-4-5-7-14(12)20-10-11-9-19-15(18)8-13(11)17/h4-9H,10H2,1-3H3
InChIKeyYAZBXJICQAUCDV-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.26
Rot. Bonds3

About 5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine

5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine (PubChem CID 116519317) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine.

Molecular Properties

Compound Name5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
PubChem CID116519317
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
SMILESCC(C)(C)c1ccccc1OCc1cnc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-16(2,3)12-6-4-5-7-14(12)20-10-11-9-19-15(18)8-13(11)17/h4-9H,10H2,1-3H3
InChIKeyYAZBXJICQAUCDV-UHFFFAOYSA-N
XLogP5.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
4-[(2-tert-butylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665767
2-[(2-tert-butylphenoxy)methyl]-4-chloroaniline
CID 79582500
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
CID 116519513
2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene
CID 64765519
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline
CID 103044604
1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine
CID 63446144
2,4-dichloro-5-(3,3-dimethylbutoxymethyl)pyridine
CID 116519503
tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
CID 131749614

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine?
The IUPAC name of 5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine (CID 116519317) is 5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine.
What is the SMILES notation for 5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine?
The canonical SMILES for 5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine is CC(C)(C)c1ccccc1OCc1cnc(Cl)cc1Cl.
What is the InChIKey of 5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine?
The InChIKey is YAZBXJICQAUCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-16(2,3)12-6-4-5-7-14(12)20-10-11-9-19-15(18)8-13(11)17/h4-9H,10H2,1-3H3.
What are the key properties of 5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine?
5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine has a molecular weight of 310.22 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine is sourced from PubChem (CID 116519317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).