2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine

C8H8ClFINO — CID 170305606

IUPAC2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine
SMILESCC(CF)Oc1cc(Cl)ncc1I
InChIInChI=1S/C8H8ClFINO/c1-5(3-10)13-7-2-8(9)12-4-6(7)11/h2,4-5H,3H2,1H3
InChIKeyBSSSSTUOSYRQJE-UHFFFAOYSA-N
MW315.51 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine

2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine (PubChem CID 170305606) has the molecular formula C8H8ClFINO and a molecular weight of 315.51 g/mol. Its IUPAC name is 2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine.

Molecular Properties

Compound Name2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine
PubChem CID170305606
Molecular FormulaC8H8ClFINO
Molecular Weight315.51 g/mol
Exact Mass314.93
IUPAC Name2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine
SMILESCC(CF)Oc1cc(Cl)ncc1I
InChIInChI=1S/C8H8ClFINO/c1-5(3-10)13-7-2-8(9)12-4-6(7)11/h2,4-5H,3H2,1H3
InChIKeyBSSSSTUOSYRQJE-UHFFFAOYSA-N
XLogP3.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine?
The IUPAC name of 2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine (CID 170305606) is 2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine.
What is the SMILES notation for 2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine?
The canonical SMILES for 2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine is CC(CF)Oc1cc(Cl)ncc1I.
What is the InChIKey of 2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine?
The InChIKey is BSSSSTUOSYRQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFINO/c1-5(3-10)13-7-2-8(9)12-4-6(7)11/h2,4-5H,3H2,1H3.
What are the key properties of 2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine?
2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine has a molecular weight of 315.51 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-fluoropropan-2-yloxy)-5-iodopyridine is sourced from PubChem (CID 170305606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).