(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone

C11H10FIN2O2 — CID 127266155

IUPAC(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone
SMILESO=C(c1cnc(I)c(O)c1)N1CCC=C(F)C1
InChIInChI=1S/C11H10FIN2O2/c12-8-2-1-3-15(6-8)11(17)7-4-9(16)10(13)14-5-7/h2,4-5,16H,1,3,6H2
InChIKeyGIVUQAXASVAYIZ-UHFFFAOYSA-N
MW348.12 g/mol
LogP2.09
Rot. Bonds1

About (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone (PubChem CID 127266155) has the molecular formula C11H10FIN2O2 and a molecular weight of 348.12 g/mol. Its IUPAC name is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone
PubChem CID127266155
Molecular FormulaC11H10FIN2O2
Molecular Weight348.12 g/mol
Exact Mass347.98
IUPAC Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone
SMILESO=C(c1cnc(I)c(O)c1)N1CCC=C(F)C1
InChIInChI=1S/C11H10FIN2O2/c12-8-2-1-3-15(6-8)11(17)7-4-9(16)10(13)14-5-7/h2,4-5,16H,1,3,6H2
InChIKeyGIVUQAXASVAYIZ-UHFFFAOYSA-N
XLogP2.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 126774144
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone
CID 154752021
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone
CID 125137359
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone
CID 166214944
(2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313612
(3,5-dihydroxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314401
[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154837601
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methyl-2-(methylamino)propan-1-one
CID 130965281
2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid
CID 120822739
(3-hydroxy-4-methoxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114172346
5-[(E)-C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-2-iodopyridin-3-ol
CID 58053729
(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63980528

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone?
The IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone (CID 127266155) is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone.
What is the SMILES notation for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone?
The canonical SMILES for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone is O=C(c1cnc(I)c(O)c1)N1CCC=C(F)C1.
What is the InChIKey of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone?
The InChIKey is GIVUQAXASVAYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O2/c12-8-2-1-3-15(6-8)11(17)7-4-9(16)10(13)14-5-7/h2,4-5,16H,1,3,6H2.
What are the key properties of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone?
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone has a molecular weight of 348.12 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone is sourced from PubChem (CID 127266155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).