3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine

C8H8Cl2FNO — CID 19964149

IUPAC3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine
SMILESCC(C)Oc1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C8H8Cl2FNO/c1-4(2)13-7-5(9)3-12-8(11)6(7)10/h3-4H,1-2H3
InChIKeyJNZBJPPYLFHAQE-UHFFFAOYSA-N
MW224.06 g/mol
LogP3.31
Rot. Bonds2

About 3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine

3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine (PubChem CID 19964149) has the molecular formula C8H8Cl2FNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine
PubChem CID19964149
Molecular FormulaC8H8Cl2FNO
Molecular Weight224.06 g/mol
Exact Mass223.00
IUPAC Name3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine
SMILESCC(C)Oc1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C8H8Cl2FNO/c1-4(2)13-7-5(9)3-12-8(11)6(7)10/h3-4H,1-2H3
InChIKeyJNZBJPPYLFHAQE-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 53.31
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-propan-2-yloxypyridine?
The IUPAC name of 3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine (CID 19964149) is 3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine.
What is the SMILES notation for 3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine?
The canonical SMILES for 3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine is CC(C)Oc1c(Cl)cnc(F)c1Cl.
What is the InChIKey of 3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine?
The InChIKey is JNZBJPPYLFHAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FNO/c1-4(2)13-7-5(9)3-12-8(11)6(7)10/h3-4H,1-2H3.
What are the key properties of 3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine?
3,5-dichloro-2-fluoro-4-propan-2-yloxypyridine has a molecular weight of 224.06 g/mol, XLogP of 3.31, 2 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-propan-2-yloxypyridine is sourced from PubChem (CID 19964149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).