6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine

C14H14ClNO — CID 23321881

IUPAC6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine
SMILESCc1nc(CCl)ccc1OCc1ccccc1
InChIInChI=1S/C14H14ClNO/c1-11-14(8-7-13(9-15)16-11)17-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyMLZPNURUJBOGTG-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.71
Rot. Bonds4

About 6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine

6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine (PubChem CID 23321881) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine.

Molecular Properties

Compound Name6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine
PubChem CID23321881
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine
SMILESCc1nc(CCl)ccc1OCc1ccccc1
InChIInChI=1S/C14H14ClNO/c1-11-14(8-7-13(9-15)16-11)17-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyMLZPNURUJBOGTG-UHFFFAOYSA-N
XLogP3.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.71
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 6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine?
The IUPAC name of 6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine (CID 23321881) is 6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine.
What is the SMILES notation for 6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine?
The canonical SMILES for 6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine is Cc1nc(CCl)ccc1OCc1ccccc1.
What is the InChIKey of 6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine?
The InChIKey is MLZPNURUJBOGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-11-14(8-7-13(9-15)16-11)17-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine?
6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine has a molecular weight of 247.72 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2-methyl-3-phenylmethoxypyridine is sourced from PubChem (CID 23321881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).