2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine

C12H10Cl2N2O — CID 22929738

IUPAC2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine
SMILESClc1ccc(COCc2ccc(Cl)nc2)cn1
InChIInChI=1S/C12H10Cl2N2O/c13-11-3-1-9(5-15-11)7-17-8-10-2-4-12(14)16-6-10/h1-6H,7-8H2
InChIKeyVUQBYKJRZCFUGB-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.50
Rot. Bonds4

About 2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine

2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine (PubChem CID 22929738) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine
PubChem CID22929738
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine
SMILESClc1ccc(COCc2ccc(Cl)nc2)cn1
InChIInChI=1S/C12H10Cl2N2O/c13-11-3-1-9(5-15-11)7-17-8-10-2-4-12(14)16-6-10/h1-6H,7-8H2
InChIKeyVUQBYKJRZCFUGB-UHFFFAOYSA-N
XLogP3.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine?
The IUPAC name of 2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine (CID 22929738) is 2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine?
The canonical SMILES for 2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine is Clc1ccc(COCc2ccc(Cl)nc2)cn1.
What is the InChIKey of 2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine?
The InChIKey is VUQBYKJRZCFUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-11-3-1-9(5-15-11)7-17-8-10-2-4-12(14)16-6-10/h1-6H,7-8H2.
What are the key properties of 2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine?
2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine has a molecular weight of 269.13 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(6-chloro-3-pyridinyl)methoxymethyl]pyridine is sourced from PubChem (CID 22929738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).