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

C14H14ClNO — CID 62471198

IUPAC2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2cccnc2Cl)cc1C
InChIInChI=1S/C14H14ClNO/c1-10-5-6-13(8-11(10)2)17-9-12-4-3-7-16-14(12)15/h3-8H,9H2,1-2H3
InChIKeyYGJSDFWHVJZZFM-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.93
Rot. Bonds3

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

2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine (PubChem CID 62471198) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
PubChem CID62471198
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2cccnc2Cl)cc1C
InChIInChI=1S/C14H14ClNO/c1-10-5-6-13(8-11(10)2)17-9-12-4-3-7-16-14(12)15/h3-8H,9H2,1-2H3
InChIKeyYGJSDFWHVJZZFM-UHFFFAOYSA-N
XLogP3.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.93
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine (CID 62471198) is 2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine is Cc1ccc(OCc2cccnc2Cl)cc1C.
What is the InChIKey of 2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine?
The InChIKey is YGJSDFWHVJZZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-5-6-13(8-11(10)2)17-9-12-4-3-7-16-14(12)15/h3-8H,9H2,1-2H3.
What are the key properties of 2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine?
2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine has a molecular weight of 247.72 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine is sourced from PubChem (CID 62471198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).