3,5-dichloro-2-fluoro-4-methoxypyridine

C6H4Cl2FNO — CID 21464379

IUPAC3,5-dichloro-2-fluoro-4-methoxypyridine
SMILESCOc1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C6H4Cl2FNO/c1-11-5-3(7)2-10-6(9)4(5)8/h2H,1H3
InChIKeyADSYDZKHASADCC-UHFFFAOYSA-N
MW196.01 g/mol
LogP2.54
Rot. Bonds1

About 3,5-dichloro-2-fluoro-4-methoxypyridine

3,5-dichloro-2-fluoro-4-methoxypyridine (PubChem CID 21464379) has the molecular formula C6H4Cl2FNO and a molecular weight of 196.01 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoro-4-methoxypyridine.

Molecular Properties

Compound Name3,5-dichloro-2-fluoro-4-methoxypyridine
PubChem CID21464379
Molecular FormulaC6H4Cl2FNO
Molecular Weight196.01 g/mol
Exact Mass194.97
IUPAC Name3,5-dichloro-2-fluoro-4-methoxypyridine
SMILESCOc1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C6H4Cl2FNO/c1-11-5-3(7)2-10-6(9)4(5)8/h2H,1H3
InChIKeyADSYDZKHASADCC-UHFFFAOYSA-N
XLogP2.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.01
LogP ≤ 52.54
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 3,5-dichloro-2-fluoro-4-methoxypyridine?
The IUPAC name of 3,5-dichloro-2-fluoro-4-methoxypyridine (CID 21464379) is 3,5-dichloro-2-fluoro-4-methoxypyridine.
What is the SMILES notation for 3,5-dichloro-2-fluoro-4-methoxypyridine?
The canonical SMILES for 3,5-dichloro-2-fluoro-4-methoxypyridine is COc1c(Cl)cnc(F)c1Cl.
What is the InChIKey of 3,5-dichloro-2-fluoro-4-methoxypyridine?
The InChIKey is ADSYDZKHASADCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2FNO/c1-11-5-3(7)2-10-6(9)4(5)8/h2H,1H3.
What are the key properties of 3,5-dichloro-2-fluoro-4-methoxypyridine?
3,5-dichloro-2-fluoro-4-methoxypyridine has a molecular weight of 196.01 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-fluoro-4-methoxypyridine is sourced from PubChem (CID 21464379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).