(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone

C11H12FN3O2 — CID 64950480

IUPAC(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1ccncc1F)N1CCC(=NO)CC1
InChIInChI=1S/C11H12FN3O2/c12-10-7-13-4-1-9(10)11(16)15-5-2-8(14-17)3-6-15/h1,4,7,17H,2-3,5-6H2
InChIKeyACPYHTIABPLWGD-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.29
Rot. Bonds1

About (3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone

(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone (PubChem CID 64950480) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
PubChem CID64950480
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1ccncc1F)N1CCC(=NO)CC1
InChIInChI=1S/C11H12FN3O2/c12-10-7-13-4-1-9(10)11(16)15-5-2-8(14-17)3-6-15/h1,4,7,17H,2-3,5-6H2
InChIKeyACPYHTIABPLWGD-UHFFFAOYSA-N
XLogP1.29
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
(3-fluoro-4-pyridinyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 115772156
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154920114
1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 115646355
(3-fluoro-4-pyridinyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 64949904
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 115646226
2-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]ethanethioamide
CID 64948717

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone (CID 64950480) is (3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone is O=C(c1ccncc1F)N1CCC(=NO)CC1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The InChIKey is ACPYHTIABPLWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-10-7-13-4-1-9(10)11(16)15-5-2-8(14-17)3-6-15/h1,4,7,17H,2-3,5-6H2.
What are the key properties of (3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone has a molecular weight of 237.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone is sourced from PubChem (CID 64950480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).