1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone

C7H5ClINO2 — CID 58317723

IUPAC1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone
SMILESO=C(CO)c1c(I)ccnc1Cl
InChIInChI=1S/C7H5ClINO2/c8-7-6(5(12)3-11)4(9)1-2-10-7/h1-2,11H,3H2
InChIKeyDLDRBNKSEVGLFK-UHFFFAOYSA-N
MW297.48 g/mol
LogP1.51
Rot. Bonds2

About 1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone

1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone (PubChem CID 58317723) has the molecular formula C7H5ClINO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone
PubChem CID58317723
Molecular FormulaC7H5ClINO2
Molecular Weight297.48 g/mol
Exact Mass296.91
IUPAC Name1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone
SMILESO=C(CO)c1c(I)ccnc1Cl
InChIInChI=1S/C7H5ClINO2/c8-7-6(5(12)3-11)4(9)1-2-10-7/h1-2,11H,3H2
InChIKeyDLDRBNKSEVGLFK-UHFFFAOYSA-N
XLogP1.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone?
The IUPAC name of 1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone (CID 58317723) is 1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone?
The canonical SMILES for 1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone is O=C(CO)c1c(I)ccnc1Cl.
What is the InChIKey of 1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone?
The InChIKey is DLDRBNKSEVGLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINO2/c8-7-6(5(12)3-11)4(9)1-2-10-7/h1-2,11H,3H2.
What are the key properties of 1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone?
1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone has a molecular weight of 297.48 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone is sourced from PubChem (CID 58317723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).