1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid

C14H15BrINO4 — CID 158243984

IUPAC1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid
SMILESCN1C=CC=CC1CC(=O)c1cccc(Br)c1.[O-][I+2]([O-])O
InChIInChI=1S/C14H14BrNO.HIO3/c1-16-8-3-2-7-13(16)10-14(17)11-5-4-6-12(15)9-11;2-1(3)4/h2-9,13H,10H2,1H3;2H
InChIKeyGFWZCKVPGGTCLW-UHFFFAOYSA-N
MW468.09 g/mol
LogP-2.53
Rot. Bonds3

About 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid

1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid (PubChem CID 158243984) has the molecular formula C14H15BrINO4 and a molecular weight of 468.09 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid
PubChem CID158243984
Molecular FormulaC14H15BrINO4
Molecular Weight468.09 g/mol
Exact Mass466.92
IUPAC Name1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid
SMILESCN1C=CC=CC1CC(=O)c1cccc(Br)c1.[O-][I+2]([O-])O
InChIInChI=1S/C14H14BrNO.HIO3/c1-16-8-3-2-7-13(16)10-14(17)11-5-4-6-12(15)9-11;2-1(3)4/h2-9,13H,10H2,1H3;2H
InChIKeyGFWZCKVPGGTCLW-UHFFFAOYSA-N
XLogP-2.53
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.09
LogP ≤ 5-2.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone
CID 158243985
1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;hydron;hexafluorophosphate
CID 174429537
1-(3-bromophenyl)butan-1-one
CID 18417701
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769
1-(3-bromophenyl)dodecan-1-one
CID 146009457
1-(3-bromophenyl)-2-iodoethanone
CID 22380807
1-(3-bromophenyl)-2-tert-butylsulfanylethanone
CID 43218967
1-(3-bromophenyl)-2-(propylamino)ethanone
CID 82102333
1-(3-bromophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
CID 24727811
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid?
The IUPAC name of 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid (CID 158243984) is 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid.
What is the SMILES notation for 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid?
The canonical SMILES for 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid is CN1C=CC=CC1CC(=O)c1cccc(Br)c1.[O-][I+2]([O-])O.
What is the InChIKey of 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid?
The InChIKey is GFWZCKVPGGTCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO.HIO3/c1-16-8-3-2-7-13(16)10-14(17)11-5-4-6-12(15)9-11;2-1(3)4/h2-9,13H,10H2,1H3;2H.
What are the key properties of 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid?
1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid has a molecular weight of 468.09 g/mol, XLogP of -2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(1-methyl-2H-pyridin-2-yl)ethanone;iodic acid is sourced from PubChem (CID 158243984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).