4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol

C15H14ClFINO — CID 122573914

IUPAC4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol
SMILESCC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc(I)c1O
InChIInChI=1S/C15H14ClFINO/c1-15(2,3)9-7-12(19-14(18)13(9)20)8-4-5-10(16)11(17)6-8/h4-7,20H,1-3H3
InChIKeyWRPHNHOFLCCALD-UHFFFAOYSA-N
MW405.64 g/mol
LogP5.15
Rot. Bonds1

About 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol

4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol (PubChem CID 122573914) has the molecular formula C15H14ClFINO and a molecular weight of 405.64 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol.

Molecular Properties

Compound Name4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol
PubChem CID122573914
Molecular FormulaC15H14ClFINO
Molecular Weight405.64 g/mol
Exact Mass404.98
IUPAC Name4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol
SMILESCC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc(I)c1O
InChIInChI=1S/C15H14ClFINO/c1-15(2,3)9-7-12(19-14(18)13(9)20)8-4-5-10(16)11(17)6-8/h4-7,20H,1-3H3
InChIKeyWRPHNHOFLCCALD-UHFFFAOYSA-N
XLogP5.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.64
LogP ≤ 55.15
H-Bond Donors ≤ 51
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 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol?
The IUPAC name of 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol (CID 122573914) is 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol.
What is the SMILES notation for 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol?
The canonical SMILES for 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol is CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc(I)c1O.
What is the InChIKey of 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol?
The InChIKey is WRPHNHOFLCCALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFINO/c1-15(2,3)9-7-12(19-14(18)13(9)20)8-4-5-10(16)11(17)6-8/h4-7,20H,1-3H3.
What are the key properties of 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol?
4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol has a molecular weight of 405.64 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-iodopyridin-3-ol is sourced from PubChem (CID 122573914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).