3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine

C15H16ClNO — CID 61257868

IUPAC3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine
SMILESCc1cc(C)c(CCl)c(OCc2ccccc2)n1
InChIInChI=1S/C15H16ClNO/c1-11-8-12(2)17-15(14(11)9-16)18-10-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3
InChIKeyHRARFISHYLFDSY-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.02
Rot. Bonds4

About 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine

3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine (PubChem CID 61257868) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine
PubChem CID61257868
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine
SMILESCc1cc(C)c(CCl)c(OCc2ccccc2)n1
InChIInChI=1S/C15H16ClNO/c1-11-8-12(2)17-15(14(11)9-16)18-10-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3
InChIKeyHRARFISHYLFDSY-UHFFFAOYSA-N
XLogP4.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine?
The IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine (CID 61257868) is 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine.
What is the SMILES notation for 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine?
The canonical SMILES for 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine is Cc1cc(C)c(CCl)c(OCc2ccccc2)n1.
What is the InChIKey of 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine?
The InChIKey is HRARFISHYLFDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-8-12(2)17-15(14(11)9-16)18-10-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3.
What are the key properties of 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine?
3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine has a molecular weight of 261.75 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine is sourced from PubChem (CID 61257868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).