(6-chloro-3-iodo-2-pyridinyl) acetate

C7H5ClINO2 — CID 154051084

IUPAC(6-chloro-3-iodo-2-pyridinyl) acetate
SMILESCC(=O)Oc1nc(Cl)ccc1I
InChIInChI=1S/C7H5ClINO2/c1-4(11)12-7-5(9)2-3-6(8)10-7/h2-3H,1H3
InChIKeyNODOERXDYFQBGY-UHFFFAOYSA-N
MW297.48 g/mol
LogP2.26
Rot. Bonds1

About (6-chloro-3-iodo-2-pyridinyl) acetate

(6-chloro-3-iodo-2-pyridinyl) acetate (PubChem CID 154051084) has the molecular formula C7H5ClINO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (6-chloro-3-iodo-2-pyridinyl) acetate.

Molecular Properties

Compound Name(6-chloro-3-iodo-2-pyridinyl) acetate
PubChem CID154051084
Molecular FormulaC7H5ClINO2
Molecular Weight297.48 g/mol
Exact Mass296.91
IUPAC Name(6-chloro-3-iodo-2-pyridinyl) acetate
SMILESCC(=O)Oc1nc(Cl)ccc1I
InChIInChI=1S/C7H5ClINO2/c1-4(11)12-7-5(9)2-3-6(8)10-7/h2-3H,1H3
InChIKeyNODOERXDYFQBGY-UHFFFAOYSA-N
XLogP2.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
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

(2-amino-6-chloro-3-pyridinyl) acetate
CID 143445346
(2-chloroquinolin-7-yl) acetate
CID 174716501
N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)acetamide
CID 118861387
(6-chloro-4-iodo-3-pyridinyl) acetate
CID 58764257
2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate
CID 150415416
6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride
CID 156880920
N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 175083875
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
CID 90341107
(3-chloro-4-ethyl-2-pyridinyl) acetate
CID 66916950
1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
CID 119004175
(2-chloro-6-methyl-4-pyridinyl) acetate
CID 174361244
(4-chlorophenyl) acetate
CID 13410

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-iodo-2-pyridinyl) acetate?
The IUPAC name of (6-chloro-3-iodo-2-pyridinyl) acetate (CID 154051084) is (6-chloro-3-iodo-2-pyridinyl) acetate.
What is the SMILES notation for (6-chloro-3-iodo-2-pyridinyl) acetate?
The canonical SMILES for (6-chloro-3-iodo-2-pyridinyl) acetate is CC(=O)Oc1nc(Cl)ccc1I.
What is the InChIKey of (6-chloro-3-iodo-2-pyridinyl) acetate?
The InChIKey is NODOERXDYFQBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINO2/c1-4(11)12-7-5(9)2-3-6(8)10-7/h2-3H,1H3.
What are the key properties of (6-chloro-3-iodo-2-pyridinyl) acetate?
(6-chloro-3-iodo-2-pyridinyl) acetate has a molecular weight of 297.48 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-iodo-2-pyridinyl) acetate is sourced from PubChem (CID 154051084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).