1-(2-iodophenyl)-2-pyridin-2-ylethanone

C13H10INO — CID 43118474

IUPAC1-(2-iodophenyl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccccc1I
InChIInChI=1S/C13H10INO/c14-12-7-2-1-6-11(12)13(16)9-10-5-3-4-8-15-10/h1-8H,9H2
InChIKeyKCDVUKBWSYQMHF-UHFFFAOYSA-N
MW323.13 g/mol
LogP3.11
Rot. Bonds3

About 1-(2-iodophenyl)-2-pyridin-2-ylethanone

1-(2-iodophenyl)-2-pyridin-2-ylethanone (PubChem CID 43118474) has the molecular formula C13H10INO and a molecular weight of 323.13 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-pyridin-2-ylethanone
PubChem CID43118474
Molecular FormulaC13H10INO
Molecular Weight323.13 g/mol
Exact Mass322.98
IUPAC Name1-(2-iodophenyl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccccc1I
InChIInChI=1S/C13H10INO/c14-12-7-2-1-6-11(12)13(16)9-10-5-3-4-8-15-10/h1-8H,9H2
InChIKeyKCDVUKBWSYQMHF-UHFFFAOYSA-N
XLogP3.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
1-(2-iodophenyl)-2-quinolin-4-ylethanone
CID 114979720
1-isoquinolin-5-yl-2-pyridin-2-ylethanone
CID 62812997
CID 131857449
CID 131857449
N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide
CID 88807795
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656
1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone
CID 107122512
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanone
CID 102752303
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
(2-pyridin-2-ylacetyl) 2-pyridin-2-ylacetate;1H-pyrrole
CID 174963764
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(2-iodophenyl)-2-pyridin-2-ylethanone (CID 43118474) is 1-(2-iodophenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(2-iodophenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(2-iodophenyl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-pyridin-2-ylethanone?
The InChIKey is KCDVUKBWSYQMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO/c14-12-7-2-1-6-11(12)13(16)9-10-5-3-4-8-15-10/h1-8H,9H2.
What are the key properties of 1-(2-iodophenyl)-2-pyridin-2-ylethanone?
1-(2-iodophenyl)-2-pyridin-2-ylethanone has a molecular weight of 323.13 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 43118474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).