1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one

C10H10FN3O2 — CID 91148620

IUPAC1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one
SMILESCn1c(O)cn(Cc2ccc(F)nc2)c1=O
InChIInChI=1S/C10H10FN3O2/c1-13-9(15)6-14(10(13)16)5-7-2-3-8(11)12-4-7/h2-4,6,15H,5H2,1H3
InChIKeyXRJDDDWVJMRMPM-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.47
Rot. Bonds2

About 1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one

1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one (PubChem CID 91148620) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one
PubChem CID91148620
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one
SMILESCn1c(O)cn(Cc2ccc(F)nc2)c1=O
InChIInChI=1S/C10H10FN3O2/c1-13-9(15)6-14(10(13)16)5-7-2-3-8(11)12-4-7/h2-4,6,15H,5H2,1H3
InChIKeyXRJDDDWVJMRMPM-UHFFFAOYSA-N
XLogP0.47
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one?
The IUPAC name of 1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one (CID 91148620) is 1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one.
What is the SMILES notation for 1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one?
The canonical SMILES for 1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one is Cn1c(O)cn(Cc2ccc(F)nc2)c1=O.
What is the InChIKey of 1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one?
The InChIKey is XRJDDDWVJMRMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-13-9(15)6-14(10(13)16)5-7-2-3-8(11)12-4-7/h2-4,6,15H,5H2,1H3.
What are the key properties of 1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one?
1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one has a molecular weight of 223.21 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-3-pyridinyl)methyl]-4-hydroxy-3-methylimidazol-2-one is sourced from PubChem (CID 91148620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).