2-chloro-4-methyl-5-(4-methylphenoxy)pyridine

C13H12ClNO — CID 82225259

IUPAC2-chloro-4-methyl-5-(4-methylphenoxy)pyridine
SMILESCc1ccc(Oc2cnc(Cl)cc2C)cc1
InChIInChI=1S/C13H12ClNO/c1-9-3-5-11(6-4-9)16-12-8-15-13(14)7-10(12)2/h3-8H,1-2H3
InChIKeyIDOJGHGNRUAZTN-UHFFFAOYSA-N
MW233.70 g/mol
LogP4.14
Rot. Bonds2

About 2-chloro-4-methyl-5-(4-methylphenoxy)pyridine

2-chloro-4-methyl-5-(4-methylphenoxy)pyridine (PubChem CID 82225259) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-(4-methylphenoxy)pyridine.

Molecular Properties

Compound Name2-chloro-4-methyl-5-(4-methylphenoxy)pyridine
PubChem CID82225259
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-chloro-4-methyl-5-(4-methylphenoxy)pyridine
SMILESCc1ccc(Oc2cnc(Cl)cc2C)cc1
InChIInChI=1S/C13H12ClNO/c1-9-3-5-11(6-4-9)16-12-8-15-13(14)7-10(12)2/h3-8H,1-2H3
InChIKeyIDOJGHGNRUAZTN-UHFFFAOYSA-N
XLogP4.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 54.14
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-chloro-5-methyl-4-phenoxypyridine
CID 83269011
2-chloro-4-(4-ethoxyphenoxy)-5-methylpyridine
CID 83268533
(6-chloro-4-methyl-3-pyridinyl)oxyboronic acid
CID 142793277
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
4,6-dichloro-2-(4-methylphenoxy)pyrimidine
CID 10800977
2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
CID 83269241
4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83269248
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230
2-chloro-4-(3-iodophenoxy)-5-methylpyridine
CID 83267091
4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
CID 60726049
2-chloro-5-(3,4-dimethylphenoxy)pyridine
CID 82225184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-(4-methylphenoxy)pyridine?
The IUPAC name of 2-chloro-4-methyl-5-(4-methylphenoxy)pyridine (CID 82225259) is 2-chloro-4-methyl-5-(4-methylphenoxy)pyridine.
What is the SMILES notation for 2-chloro-4-methyl-5-(4-methylphenoxy)pyridine?
The canonical SMILES for 2-chloro-4-methyl-5-(4-methylphenoxy)pyridine is Cc1ccc(Oc2cnc(Cl)cc2C)cc1.
What is the InChIKey of 2-chloro-4-methyl-5-(4-methylphenoxy)pyridine?
The InChIKey is IDOJGHGNRUAZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-3-5-11(6-4-9)16-12-8-15-13(14)7-10(12)2/h3-8H,1-2H3.
What are the key properties of 2-chloro-4-methyl-5-(4-methylphenoxy)pyridine?
2-chloro-4-methyl-5-(4-methylphenoxy)pyridine has a molecular weight of 233.70 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-(4-methylphenoxy)pyridine is sourced from PubChem (CID 82225259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).