(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone

C15H11FIN3O2 — CID 139342534

IUPAC(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone
SMILESCCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)c(I)c1
InChIInChI=1S/C15H11FIN3O2/c1-2-11-13(20-7-9(16)6-18-15(20)19-11)14(22)8-3-4-12(21)10(17)5-8/h3-7,21H,2H2,1H3
InChIKeyWKROCTOLRMSYLJ-UHFFFAOYSA-N
MW411.17 g/mol
LogP2.97
Rot. Bonds3

About (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone

(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone (PubChem CID 139342534) has the molecular formula C15H11FIN3O2 and a molecular weight of 411.17 g/mol. Its IUPAC name is (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone
PubChem CID139342534
Molecular FormulaC15H11FIN3O2
Molecular Weight411.17 g/mol
Exact Mass410.99
IUPAC Name(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone
SMILESCCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)c(I)c1
InChIInChI=1S/C15H11FIN3O2/c1-2-11-13(20-7-9(16)6-18-15(20)19-11)14(22)8-3-4-12(21)10(17)5-8/h3-7,21H,2H2,1H3
InChIKeyWKROCTOLRMSYLJ-UHFFFAOYSA-N
XLogP2.97
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
CID 139342703
(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342684
3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
CID 139342441
(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342763
(3-chloro-4-methoxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687576
ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 156649042
ethane;(2-ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 145271556
(3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone
CID 11325317
(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone
CID 178012570
5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride
CID 140918347
(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 134535281
(2-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone
CID 11279298

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone?
The IUPAC name of (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone (CID 139342534) is (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone.
What is the SMILES notation for (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone?
The canonical SMILES for (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone is CCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)c(I)c1.
What is the InChIKey of (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone?
The InChIKey is WKROCTOLRMSYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3O2/c1-2-11-13(20-7-9(16)6-18-15(20)19-11)14(22)8-3-4-12(21)10(17)5-8/h3-7,21H,2H2,1H3.
What are the key properties of (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone?
(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone has a molecular weight of 411.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone is sourced from PubChem (CID 139342534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).