2-chloro-1-(5-iodo-2-pyridinyl)ethanone

C7H5ClINO — CID 146928050

IUPAC2-chloro-1-(5-iodo-2-pyridinyl)ethanone
SMILESO=C(CCl)c1ccc(I)cn1
InChIInChI=1S/C7H5ClINO/c8-3-7(11)6-2-1-5(9)4-10-6/h1-2,4H,3H2
InChIKeyAELMHUQGTWOXOS-UHFFFAOYSA-N
MW281.48 g/mol
LogP2.11
Rot. Bonds2

About 2-chloro-1-(5-iodo-2-pyridinyl)ethanone

2-chloro-1-(5-iodo-2-pyridinyl)ethanone (PubChem CID 146928050) has the molecular formula C7H5ClINO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-chloro-1-(5-iodo-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-iodo-2-pyridinyl)ethanone
PubChem CID146928050
Molecular FormulaC7H5ClINO
Molecular Weight281.48 g/mol
Exact Mass280.91
IUPAC Name2-chloro-1-(5-iodo-2-pyridinyl)ethanone
SMILESO=C(CCl)c1ccc(I)cn1
InChIInChI=1S/C7H5ClINO/c8-3-7(11)6-2-1-5(9)4-10-6/h1-2,4H,3H2
InChIKeyAELMHUQGTWOXOS-UHFFFAOYSA-N
XLogP2.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-6-chloro-2-pyridinyl)-2-chloroethanone
CID 130132409
2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride
CID 86346491
CID 89241370
CID 89241370
N-[4-(2-chloroacetyl)pyrimidin-2-yl]-2-methylpropanamide
CID 138484901
5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide
CID 58997432
2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone
CID 171009335
1-(5-fluoro-2-pyridinyl)but-3-yn-1-one
CID 79722226
5-ethynyl-N-hydroxypyridine-2-carboxamide
CID 74892605
1-(5-methylsulfanyl-2-pyridinyl)propan-1-one
CID 68711933
N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide
CID 154956779
N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
CID 65098737
N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide
CID 65098654

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-iodo-2-pyridinyl)ethanone?
The IUPAC name of 2-chloro-1-(5-iodo-2-pyridinyl)ethanone (CID 146928050) is 2-chloro-1-(5-iodo-2-pyridinyl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-iodo-2-pyridinyl)ethanone?
The canonical SMILES for 2-chloro-1-(5-iodo-2-pyridinyl)ethanone is O=C(CCl)c1ccc(I)cn1.
What is the InChIKey of 2-chloro-1-(5-iodo-2-pyridinyl)ethanone?
The InChIKey is AELMHUQGTWOXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINO/c8-3-7(11)6-2-1-5(9)4-10-6/h1-2,4H,3H2.
What are the key properties of 2-chloro-1-(5-iodo-2-pyridinyl)ethanone?
2-chloro-1-(5-iodo-2-pyridinyl)ethanone has a molecular weight of 281.48 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-iodo-2-pyridinyl)ethanone is sourced from PubChem (CID 146928050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).