2,5-dichloro-3-(methoxymethyl)pyridine

C7H7Cl2NO — CID 86699714

IUPAC2,5-dichloro-3-(methoxymethyl)pyridine
SMILESCOCc1cc(Cl)cnc1Cl
InChIInChI=1S/C7H7Cl2NO/c1-11-4-5-2-6(8)3-10-7(5)9/h2-3H,4H2,1H3
InChIKeyQQHUHNHCQDZAEJ-UHFFFAOYSA-N
MW192.05 g/mol
LogP2.53
Rot. Bonds2

About 2,5-dichloro-3-(methoxymethyl)pyridine

2,5-dichloro-3-(methoxymethyl)pyridine (PubChem CID 86699714) has the molecular formula C7H7Cl2NO and a molecular weight of 192.05 g/mol. Its IUPAC name is 2,5-dichloro-3-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2,5-dichloro-3-(methoxymethyl)pyridine
PubChem CID86699714
Molecular FormulaC7H7Cl2NO
Molecular Weight192.05 g/mol
Exact Mass190.99
IUPAC Name2,5-dichloro-3-(methoxymethyl)pyridine
SMILESCOCc1cc(Cl)cnc1Cl
InChIInChI=1S/C7H7Cl2NO/c1-11-4-5-2-6(8)3-10-7(5)9/h2-3H,4H2,1H3
InChIKeyQQHUHNHCQDZAEJ-UHFFFAOYSA-N
XLogP2.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.05
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5-dichloro-3-(methoxymethyl)pyridine?
The IUPAC name of 2,5-dichloro-3-(methoxymethyl)pyridine (CID 86699714) is 2,5-dichloro-3-(methoxymethyl)pyridine.
What is the SMILES notation for 2,5-dichloro-3-(methoxymethyl)pyridine?
The canonical SMILES for 2,5-dichloro-3-(methoxymethyl)pyridine is COCc1cc(Cl)cnc1Cl.
What is the InChIKey of 2,5-dichloro-3-(methoxymethyl)pyridine?
The InChIKey is QQHUHNHCQDZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-11-4-5-2-6(8)3-10-7(5)9/h2-3H,4H2,1H3.
What are the key properties of 2,5-dichloro-3-(methoxymethyl)pyridine?
2,5-dichloro-3-(methoxymethyl)pyridine has a molecular weight of 192.05 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(methoxymethyl)pyridine is sourced from PubChem (CID 86699714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).