3-(chloromethyl)-5-(4-chlorophenoxy)pyridine

C12H9Cl2NO — CID 112693982

IUPAC3-(chloromethyl)-5-(4-chlorophenoxy)pyridine
SMILESClCc1cncc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H9Cl2NO/c13-6-9-5-12(8-15-7-9)16-11-3-1-10(14)2-4-11/h1-5,7-8H,6H2
InChIKeyNSCOWGPNCFHTLU-UHFFFAOYSA-N
MW254.12 g/mol
LogP4.27
Rot. Bonds3

About 3-(chloromethyl)-5-(4-chlorophenoxy)pyridine

3-(chloromethyl)-5-(4-chlorophenoxy)pyridine (PubChem CID 112693982) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(4-chlorophenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-5-(4-chlorophenoxy)pyridine
PubChem CID112693982
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name3-(chloromethyl)-5-(4-chlorophenoxy)pyridine
SMILESClCc1cncc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H9Cl2NO/c13-6-9-5-12(8-15-7-9)16-11-3-1-10(14)2-4-11/h1-5,7-8H,6H2
InChIKeyNSCOWGPNCFHTLU-UHFFFAOYSA-N
XLogP4.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 54.27
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

3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine
CID 107169727
[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
CID 113469610
3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine
CID 113469499
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene
CID 63566239
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
CID 63568031
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469619
2-[5-(3,4-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 113469863
3-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)pyridine
CID 61269746
[4-(4-chlorophenoxy)phenyl]methylazanium
CID 7022021
(E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
CID 22262903

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(4-chlorophenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-5-(4-chlorophenoxy)pyridine (CID 112693982) is 3-(chloromethyl)-5-(4-chlorophenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-5-(4-chlorophenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-5-(4-chlorophenoxy)pyridine is ClCc1cncc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(chloromethyl)-5-(4-chlorophenoxy)pyridine?
The InChIKey is NSCOWGPNCFHTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-6-9-5-12(8-15-7-9)16-11-3-1-10(14)2-4-11/h1-5,7-8H,6H2.
What are the key properties of 3-(chloromethyl)-5-(4-chlorophenoxy)pyridine?
3-(chloromethyl)-5-(4-chlorophenoxy)pyridine has a molecular weight of 254.12 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(4-chlorophenoxy)pyridine is sourced from PubChem (CID 112693982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).