(3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone

C16H11ClFIN2O2 — CID 126687611

IUPAC(3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1nc2ccc(F)cn2c1C(=O)c1cc(Cl)c(O)c(I)c1
InChIInChI=1S/C16H11ClFIN2O2/c1-2-12-14(21-7-9(18)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(19)6-8/h3-7,23H,2H2,1H3
InChIKeyIPRMJNVQWDJZPU-UHFFFAOYSA-N
MW444.63 g/mol
LogP4.23
Rot. Bonds3

About (3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone

(3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 126687611) has the molecular formula C16H11ClFIN2O2 and a molecular weight of 444.63 g/mol. Its IUPAC name is (3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID126687611
Molecular FormulaC16H11ClFIN2O2
Molecular Weight444.63 g/mol
Exact Mass443.95
IUPAC Name(3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1nc2ccc(F)cn2c1C(=O)c1cc(Cl)c(O)c(I)c1
InChIInChI=1S/C16H11ClFIN2O2/c1-2-12-14(21-7-9(18)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(19)6-8/h3-7,23H,2H2,1H3
InChIKeyIPRMJNVQWDJZPU-UHFFFAOYSA-N
XLogP4.23
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.63
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 21
CID 5330639
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone
CID 455752
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(3-hydroxyphenyl)methanone
CID 455753
2-(4-Chlorophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 135032509
(3-Chloro-4-methoxyphenyl)(imidazo[1,2-a]pyridin-3-yl)methanone
CID 7150868
(3,5-Dichloro-2-hydroxyphenyl)-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)methanone
CID 125511267
(3,5-Dichloro-2-hydroxyphenyl)-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 134833710
1-(4-Hydroxyphenyl)-2-imidazo[1,2-a]pyridin-3-ylethane-1,2-dione
CID 134956705
5-(2-Ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile
CID 126687479
(3-Bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687501
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
CID 126687541
(3-Chloro-4-methoxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687576

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of (3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone (CID 126687611) is (3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for (3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone is CCc1nc2ccc(F)cn2c1C(=O)c1cc(Cl)c(O)c(I)c1.
What is the InChIKey of (3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is IPRMJNVQWDJZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFIN2O2/c1-2-12-14(21-7-9(18)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(19)6-8/h3-7,23H,2H2,1H3.
What are the key properties of (3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
(3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 444.63 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxy-5-iodophenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 126687611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).