3-(chloromethyl)-2-pyridin-3-yloxypyridine

C11H9ClN2O — CID 61268783

IUPAC3-(chloromethyl)-2-pyridin-3-yloxypyridine
SMILESClCc1cccnc1Oc1cccnc1
InChIInChI=1S/C11H9ClN2O/c12-7-9-3-1-6-14-11(9)15-10-4-2-5-13-8-10/h1-6,8H,7H2
InChIKeyGMJHLHMVLCXWBJ-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.01
Rot. Bonds3

About 3-(chloromethyl)-2-pyridin-3-yloxypyridine

3-(chloromethyl)-2-pyridin-3-yloxypyridine (PubChem CID 61268783) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-(chloromethyl)-2-pyridin-3-yloxypyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-pyridin-3-yloxypyridine
PubChem CID61268783
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-(chloromethyl)-2-pyridin-3-yloxypyridine
SMILESClCc1cccnc1Oc1cccnc1
InChIInChI=1S/C11H9ClN2O/c12-7-9-3-1-6-14-11(9)15-10-4-2-5-13-8-10/h1-6,8H,7H2
InChIKeyGMJHLHMVLCXWBJ-UHFFFAOYSA-N
XLogP3.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-2-(3-chlorophenoxy)pyridine
CID 61267697
2,3-dipyridin-3-yloxypyrazine
CID 139072759
3-(chloromethyl)-2-(4-methylsulfanylphenoxy)pyridine
CID 63647867
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
3-(chloromethyl)-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine
CID 116802722
4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine
CID 107087552
3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine
CID 61268222
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
CID 114267909
2,5-dichloro-4-pyridin-3-yloxypyrimidine
CID 79632979
3-(chloromethyl)-2-[(3-methoxyphenyl)methoxy]pyridine
CID 61256426

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-pyridin-3-yloxypyridine?
The IUPAC name of 3-(chloromethyl)-2-pyridin-3-yloxypyridine (CID 61268783) is 3-(chloromethyl)-2-pyridin-3-yloxypyridine.
What is the SMILES notation for 3-(chloromethyl)-2-pyridin-3-yloxypyridine?
The canonical SMILES for 3-(chloromethyl)-2-pyridin-3-yloxypyridine is ClCc1cccnc1Oc1cccnc1.
What is the InChIKey of 3-(chloromethyl)-2-pyridin-3-yloxypyridine?
The InChIKey is GMJHLHMVLCXWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-7-9-3-1-6-14-11(9)15-10-4-2-5-13-8-10/h1-6,8H,7H2.
What are the key properties of 3-(chloromethyl)-2-pyridin-3-yloxypyridine?
3-(chloromethyl)-2-pyridin-3-yloxypyridine has a molecular weight of 220.66 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-pyridin-3-yloxypyridine is sourced from PubChem (CID 61268783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).