2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine

C14H13Cl2NO — CID 116519336

IUPAC2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2cnc(Cl)cc2Cl)cc1C
InChIInChI=1S/C14H13Cl2NO/c1-9-3-4-12(5-10(9)2)18-8-11-7-17-14(16)6-13(11)15/h3-7H,8H2,1-2H3
InChIKeyCFYWDMXSMXKVKA-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.58
Rot. Bonds3

About 2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine

2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine (PubChem CID 116519336) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine
PubChem CID116519336
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2cnc(Cl)cc2Cl)cc1C
InChIInChI=1S/C14H13Cl2NO/c1-9-3-4-12(5-10(9)2)18-8-11-7-17-14(16)6-13(11)15/h3-7H,8H2,1-2H3
InChIKeyCFYWDMXSMXKVKA-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.58
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

5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine
CID 118657703
2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 116519425
2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
CID 62471198
2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 116519388
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
2-chloro-5-(3,4-dimethylphenoxy)pyridine
CID 82225184
5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317
2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
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 2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine?
The IUPAC name of 2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine (CID 116519336) is 2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine.
What is the SMILES notation for 2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine?
The canonical SMILES for 2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine is Cc1ccc(OCc2cnc(Cl)cc2Cl)cc1C.
What is the InChIKey of 2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine?
The InChIKey is CFYWDMXSMXKVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-9-3-4-12(5-10(9)2)18-8-11-7-17-14(16)6-13(11)15/h3-7H,8H2,1-2H3.
What are the key properties of 2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine?
2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine has a molecular weight of 282.17 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine is sourced from PubChem (CID 116519336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).