4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol

C9H11FIN3O2 — CID 142743321

IUPAC4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol
SMILESCOc1nc(I)cc(N2CC(O)C(F)C2)n1
InChIInChI=1S/C9H11FIN3O2/c1-16-9-12-7(11)2-8(13-9)14-3-5(10)6(15)4-14/h2,5-6,15H,3-4H2,1H3
InChIKeyBBWIZZAIRZVAAN-UHFFFAOYSA-N
MW339.11 g/mol
LogP0.61
Rot. Bonds2

About 4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol

4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 142743321) has the molecular formula C9H11FIN3O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is 4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID142743321
Molecular FormulaC9H11FIN3O2
Molecular Weight339.11 g/mol
Exact Mass338.99
IUPAC Name4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol
SMILESCOc1nc(I)cc(N2CC(O)C(F)C2)n1
InChIInChI=1S/C9H11FIN3O2/c1-16-9-12-7(11)2-8(13-9)14-3-5(10)6(15)4-14/h2,5-6,15H,3-4H2,1H3
InChIKeyBBWIZZAIRZVAAN-UHFFFAOYSA-N
XLogP0.61
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol (CID 142743321) is 4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol is COc1nc(I)cc(N2CC(O)C(F)C2)n1.
What is the InChIKey of 4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is BBWIZZAIRZVAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FIN3O2/c1-16-9-12-7(11)2-8(13-9)14-3-5(10)6(15)4-14/h2,5-6,15H,3-4H2,1H3.
What are the key properties of 4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol?
4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 339.11 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 142743321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).