6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one

C10H9ClFN3O — CID 166928387

IUPAC6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one
SMILESCc1cnn(C)c1-c1cc(=O)[nH]c(Cl)c1F
InChIInChI=1S/C10H9ClFN3O/c1-5-4-13-15(2)9(5)6-3-7(16)14-10(11)8(6)12/h3-4H,1-2H3,(H,14,16)
InChIKeyLYZZRAFISUSIOD-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.88
Rot. Bonds1

About 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one

6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one (PubChem CID 166928387) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one
PubChem CID166928387
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one
SMILESCc1cnn(C)c1-c1cc(=O)[nH]c(Cl)c1F
InChIInChI=1S/C10H9ClFN3O/c1-5-4-13-15(2)9(5)6-3-7(16)14-10(11)8(6)12/h3-4H,1-2H3,(H,14,16)
InChIKeyLYZZRAFISUSIOD-UHFFFAOYSA-N
XLogP1.88
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one (CID 166928387) is 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one is Cc1cnn(C)c1-c1cc(=O)[nH]c(Cl)c1F.
What is the InChIKey of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is LYZZRAFISUSIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-5-4-13-15(2)9(5)6-3-7(16)14-10(11)8(6)12/h3-4H,1-2H3,(H,14,16).
What are the key properties of 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one?
6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 241.65 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 166928387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).