2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone

C18H13FN2O3 — CID 152758846

IUPAC2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(=O)C(=NO)c3ccnc(F)c3)ccc2c1
InChIInChI=1S/C18H13FN2O3/c1-24-15-5-4-11-8-14(3-2-12(11)9-15)18(22)17(21-23)13-6-7-20-16(19)10-13/h2-10,23H,1H3
InChIKeyAORCECAGYKBMNS-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone

2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone (PubChem CID 152758846) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone
PubChem CID152758846
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(=O)C(=NO)c3ccnc(F)c3)ccc2c1
InChIInChI=1S/C18H13FN2O3/c1-24-15-5-4-11-8-14(3-2-12(11)9-15)18(22)17(21-23)13-6-7-20-16(19)10-13/h2-10,23H,1H3
InChIKeyAORCECAGYKBMNS-UHFFFAOYSA-N
XLogP3.44
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone?
The IUPAC name of 2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone (CID 152758846) is 2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone is COc1ccc2cc(C(=O)C(=NO)c3ccnc(F)c3)ccc2c1.
What is the InChIKey of 2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone?
The InChIKey is AORCECAGYKBMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c1-24-15-5-4-11-8-14(3-2-12(11)9-15)18(22)17(21-23)13-6-7-20-16(19)10-13/h2-10,23H,1H3.
What are the key properties of 2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone?
2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone has a molecular weight of 324.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 152758846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).