1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one

C9H8FN3O2 — CID 63978976

IUPAC1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1ccc(F)nc1
InChIInChI=1S/C9H8FN3O2/c10-7-2-1-6(5-12-7)8(14)13-4-3-11-9(13)15/h1-2,5H,3-4H2,(H,11,15)
InChIKeyWHDIRZFRPQDRCE-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.39
Rot. Bonds1

About 1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one

1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one (PubChem CID 63978976) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one
PubChem CID63978976
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1ccc(F)nc1
InChIInChI=1S/C9H8FN3O2/c10-7-2-1-6(5-12-7)8(14)13-4-3-11-9(13)15/h1-2,5H,3-4H2,(H,11,15)
InChIKeyWHDIRZFRPQDRCE-UHFFFAOYSA-N
XLogP0.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one
CID 61216891
1-(pyridine-3-carbonyl)imidazolidin-2-one
CID 57266793
1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one
CID 115497588
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63979723
8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-pyridinyl)methanone
CID 63977651
1-(3-bromo-4-methylbenzoyl)imidazolidin-2-one
CID 81472101
3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone
CID 63978997
(6-fluoro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 63979575
7-(6-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79210280
(6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone
CID 68880844

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one (CID 63978976) is 1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)c1ccc(F)nc1.
What is the InChIKey of 1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one?
The InChIKey is WHDIRZFRPQDRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-7-2-1-6(5-12-7)8(14)13-4-3-11-9(13)15/h1-2,5H,3-4H2,(H,11,15).
What are the key properties of 1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one?
1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one has a molecular weight of 209.18 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyridine-3-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 63978976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).