(5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C18H15BrINO2 — CID 112802745

IUPAC(5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1I)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H15BrINO2/c19-14-3-6-17(20)16(11-14)18(23)21-9-7-13(8-10-21)12-1-4-15(22)5-2-12/h1-7,11,22H,8-10H2
InChIKeyIPJXVDLZHJBRSJ-UHFFFAOYSA-N
MW484.13 g/mol
LogP4.69
Rot. Bonds2

About (5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 112802745) has the molecular formula C18H15BrINO2 and a molecular weight of 484.13 g/mol. Its IUPAC name is (5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID112802745
Molecular FormulaC18H15BrINO2
Molecular Weight484.13 g/mol
Exact Mass482.93
IUPAC Name(5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1I)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H15BrINO2/c19-14-3-6-17(20)16(11-14)18(23)21-9-7-13(8-10-21)12-1-4-15(22)5-2-12/h1-7,11,22H,8-10H2
InChIKeyIPJXVDLZHJBRSJ-UHFFFAOYSA-N
XLogP4.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.13
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-4-iodo-2-methoxyphenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112823992
(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112802751
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 154759899
[5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 99792639
2-(4-bromophenyl)-N-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]acetamide
CID 112823988
(5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 167849084
(3,4-dimethylphenyl)-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]methanone
CID 112811513
(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113232778
(5-bromo-2-iodophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029701
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 20918077
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112802805
(5-bromo-2-iodophenyl)-(1,4-diazepan-1-yl)methanone
CID 113265244

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 112802745) is (5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1cc(Br)ccc1I)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of (5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is IPJXVDLZHJBRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrINO2/c19-14-3-6-17(20)16(11-14)18(23)21-9-7-13(8-10-21)12-1-4-15(22)5-2-12/h1-7,11,22H,8-10H2.
What are the key properties of (5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 484.13 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 112802745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).