3-(chloromethyl)-2-(3-chlorophenoxy)pyridine

C12H9Cl2NO — CID 61267697

IUPAC3-(chloromethyl)-2-(3-chlorophenoxy)pyridine
SMILESClCc1cccnc1Oc1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c13-8-9-3-2-6-15-12(9)16-11-5-1-4-10(14)7-11/h1-7H,8H2
InChIKeyCDYJLDANCKMYRL-UHFFFAOYSA-N
MW254.12 g/mol
LogP4.27
Rot. Bonds3

About 3-(chloromethyl)-2-(3-chlorophenoxy)pyridine

3-(chloromethyl)-2-(3-chlorophenoxy)pyridine (PubChem CID 61267697) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(3-chlorophenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(3-chlorophenoxy)pyridine
PubChem CID61267697
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name3-(chloromethyl)-2-(3-chlorophenoxy)pyridine
SMILESClCc1cccnc1Oc1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c13-8-9-3-2-6-15-12(9)16-11-5-1-4-10(14)7-11/h1-7H,8H2
InChIKeyCDYJLDANCKMYRL-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)-2-pyridin-3-yloxypyridine
CID 61268783
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
CID 114267909
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
3-(chloromethyl)-2-(4-methylsulfanylphenoxy)pyridine
CID 63647867
(E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 114057080
3-(chloromethyl)-2-[(3-methoxyphenyl)methoxy]pyridine
CID 61256426
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
[2-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61258163
5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine
CID 116802722
[2-(3-ethylphenoxy)-3-pyridinyl]methanol
CID 61257308

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(3-chlorophenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-2-(3-chlorophenoxy)pyridine (CID 61267697) is 3-(chloromethyl)-2-(3-chlorophenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(3-chlorophenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(3-chlorophenoxy)pyridine is ClCc1cccnc1Oc1cccc(Cl)c1.
What is the InChIKey of 3-(chloromethyl)-2-(3-chlorophenoxy)pyridine?
The InChIKey is CDYJLDANCKMYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-8-9-3-2-6-15-12(9)16-11-5-1-4-10(14)7-11/h1-7H,8H2.
What are the key properties of 3-(chloromethyl)-2-(3-chlorophenoxy)pyridine?
3-(chloromethyl)-2-(3-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)-2-(3-chlorophenoxy)pyridine is sourced from PubChem (CID 61267697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).