3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine

C13H11Cl2NO — CID 39869127

IUPAC3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1cc(Cl)ccc1OCc1cccnc1
InChIInChI=1S/C13H11Cl2NO/c14-7-11-6-12(15)3-4-13(11)17-9-10-2-1-5-16-8-10/h1-6,8H,7,9H2
InChIKeyZPYCIHMYMHMNMK-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.05
Rot. Bonds4

About 3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine

3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine (PubChem CID 39869127) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
PubChem CID39869127
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1cc(Cl)ccc1OCc1cccnc1
InChIInChI=1S/C13H11Cl2NO/c14-7-11-6-12(15)3-4-13(11)17-9-10-2-1-5-16-8-10/h1-6,8H,7,9H2
InChIKeyZPYCIHMYMHMNMK-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

4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 43141959
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 60523516
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
CID 110899734
3-[[4-chloro-2-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 86879280
2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 60523061
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 34535658
(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol
CID 94528472
3-[(5-chloro-2-nitrophenoxy)methyl]pyridine
CID 78976903
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17289311

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine (CID 39869127) is 3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine is ClCc1cc(Cl)ccc1OCc1cccnc1.
What is the InChIKey of 3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
The InChIKey is ZPYCIHMYMHMNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-7-11-6-12(15)3-4-13(11)17-9-10-2-1-5-16-8-10/h1-6,8H,7,9H2.
What are the key properties of 3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]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 3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 39869127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).