(2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone

C13H9FN2O2 — CID 135741597

IUPAC(2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone
SMILESO=C(/C(=N\O)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2/c14-11-3-1-10(2-4-11)13(17)12(16-18)9-5-7-15-8-6-9/h1-8,18H/b16-12-
InChIKeyAKUAGNWRWWYKEU-VBKFSLOCSA-N
MW244.23 g/mol
LogP2.28
Rot. Bonds3

About (2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone

(2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone (PubChem CID 135741597) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is (2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name(2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone
PubChem CID135741597
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name(2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone
SMILESO=C(/C(=N\O)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2/c14-11-3-1-10(2-4-11)13(17)12(16-18)9-5-7-15-8-6-9/h1-8,18H/b16-12-
InChIKeyAKUAGNWRWWYKEU-VBKFSLOCSA-N
XLogP2.28
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone?
The IUPAC name of (2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone (CID 135741597) is (2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone.
What is the SMILES notation for (2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone?
The canonical SMILES for (2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone is O=C(/C(=N\O)c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of (2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone?
The InChIKey is AKUAGNWRWWYKEU-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-11-3-1-10(2-4-11)13(17)12(16-18)9-5-7-15-8-6-9/h1-8,18H/b16-12-.
What are the key properties of (2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone?
(2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone has a molecular weight of 244.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone is sourced from PubChem (CID 135741597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).