1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone

C19H14INO — CID 90680427

IUPAC1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone
SMILESO=C(c1ccc(I)cc1)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H14INO/c20-16-11-9-15(10-12-16)19(22)18(14-6-2-1-3-7-14)17-8-4-5-13-21-17/h1-13,18H
InChIKeyDTPQFAMOPLMPQM-UHFFFAOYSA-N
MW399.23 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone

1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone (PubChem CID 90680427) has the molecular formula C19H14INO and a molecular weight of 399.23 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone
PubChem CID90680427
Molecular FormulaC19H14INO
Molecular Weight399.23 g/mol
Exact Mass399.01
IUPAC Name1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone
SMILESO=C(c1ccc(I)cc1)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H14INO/c20-16-11-9-15(10-12-16)19(22)18(14-6-2-1-3-7-14)17-8-4-5-13-21-17/h1-13,18H
InChIKeyDTPQFAMOPLMPQM-UHFFFAOYSA-N
XLogP4.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 54.70
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

(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
(2R)-1-(2-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396293
N,2-diphenyl-2-pyridin-2-ylacetamide
CID 110373388
2-bromo-1-(4-iodophenyl)-2-phenylethanone
CID 14067171
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
N-tert-butyl-2-phenyl-2-pyridin-2-ylacetamide
CID 110373379
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
2-iodo-2-pyridin-2-ylacetic acid
CID 143887294
N-ethyl-N,2-diphenyl-2-pyridin-2-ylacetamide
CID 110373393
4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde
CID 110373346
1,2-diphenyl-2-(2H-triazol-4-yl)ethanone
CID 70417346
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone?
The IUPAC name of 1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone (CID 90680427) is 1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone is O=C(c1ccc(I)cc1)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone?
The InChIKey is DTPQFAMOPLMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14INO/c20-16-11-9-15(10-12-16)19(22)18(14-6-2-1-3-7-14)17-8-4-5-13-21-17/h1-13,18H.
What are the key properties of 1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone?
1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone has a molecular weight of 399.23 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone is sourced from PubChem (CID 90680427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).