2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine

C13H11Cl2NO — CID 79800294

IUPAC2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine
SMILESClCc1ccc(OCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H11Cl2NO/c14-7-12-5-6-13(8-16-12)17-9-10-1-3-11(15)4-2-10/h1-6,8H,7,9H2
InChIKeyASBXPJHUBHSADF-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.05
Rot. Bonds4

About 2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine

2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine (PubChem CID 79800294) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine
PubChem CID79800294
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine
SMILESClCc1ccc(OCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H11Cl2NO/c14-7-12-5-6-13(8-16-12)17-9-10-1-3-11(15)4-2-10/h1-6,8H,7,9H2
InChIKeyASBXPJHUBHSADF-UHFFFAOYSA-N
XLogP4.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-chlorophenyl)methoxy]-2-fluoropyridine
CID 115282951
5-[(4-chlorophenyl)methoxy]pyridine-2-carbothioamide
CID 115488934
2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine
CID 79799843
2-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 79799613
1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
CID 10340152
[5-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]methanol
CID 18758409
2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79799554
2-(chloromethyl)-5-(3-methoxypropoxy)pyridine
CID 79799760
4-[(4-chlorophenyl)methoxy]-1,2-oxazole
CID 117233359
1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 107879633
N-[[5-[(3-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 103037879
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine?
The IUPAC name of 2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine (CID 79800294) is 2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine is ClCc1ccc(OCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine?
The InChIKey is ASBXPJHUBHSADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-7-12-5-6-13(8-16-12)17-9-10-1-3-11(15)4-2-10/h1-6,8H,7,9H2.
What are the key properties of 2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine?
2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine has a molecular weight of 268.14 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine is sourced from PubChem (CID 79800294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).