(2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one

C8H7FN2O2 — CID 143632843

IUPAC(2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one
SMILESC/C(=N\O)C(=O)c1ccnc(F)c1
InChIInChI=1S/C8H7FN2O2/c1-5(11-13)8(12)6-2-3-10-7(9)4-6/h2-4,13H,1H3/b11-5+
InChIKeyKSSNIUUYHCNZRX-VZUCSPMQSA-N
MW182.15 g/mol
LogP1.25
Rot. Bonds2

About (2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one

(2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one (PubChem CID 143632843) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is (2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one.

Molecular Properties

Compound Name(2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one
PubChem CID143632843
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name(2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one
SMILESC/C(=N\O)C(=O)c1ccnc(F)c1
InChIInChI=1S/C8H7FN2O2/c1-5(11-13)8(12)6-2-3-10-7(9)4-6/h2-4,13H,1H3/b11-5+
InChIKeyKSSNIUUYHCNZRX-VZUCSPMQSA-N
XLogP1.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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 (2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one?
The IUPAC name of (2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one (CID 143632843) is (2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one.
What is the SMILES notation for (2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one?
The canonical SMILES for (2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one is C/C(=N\O)C(=O)c1ccnc(F)c1.
What is the InChIKey of (2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one?
The InChIKey is KSSNIUUYHCNZRX-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-5(11-13)8(12)6-2-3-10-7(9)4-6/h2-4,13H,1H3/b11-5+.
What are the key properties of (2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one?
(2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one has a molecular weight of 182.15 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one is sourced from PubChem (CID 143632843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).