(5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone

C14H12BrNO2 — CID 123575472

IUPAC(5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ccc2c(Br)cccc2c1)N1CC(O)C1
InChIInChI=1S/C14H12BrNO2/c15-13-3-1-2-9-6-10(4-5-12(9)13)14(18)16-7-11(17)8-16/h1-6,11,17H,7-8H2
InChIKeyHESQAMDTNWFMKY-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.42
Rot. Bonds1

About (5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone

(5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 123575472) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is (5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID123575472
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name(5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ccc2c(Br)cccc2c1)N1CC(O)C1
InChIInChI=1S/C14H12BrNO2/c15-13-3-1-2-9-6-10(4-5-12(9)13)14(18)16-7-11(17)8-16/h1-6,11,17H,7-8H2
InChIKeyHESQAMDTNWFMKY-UHFFFAOYSA-N
XLogP2.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
tert-butyl N-[[1-(5-bromonaphthalene-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 171396385
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 84582449
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
(4-amino-3-bromophenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220786
(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 107989730
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103957501
(6-bromo-2-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103917023
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
CID 55178587
[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[5-(3,5-dimethoxyphenyl)naphthalen-2-yl]methanone
CID 175642946

Frequently Asked Questions

What is the IUPAC name of (5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone (CID 123575472) is (5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone is O=C(c1ccc2c(Br)cccc2c1)N1CC(O)C1.
What is the InChIKey of (5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is HESQAMDTNWFMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-13-3-1-2-9-6-10(4-5-12(9)13)14(18)16-7-11(17)8-16/h1-6,11,17H,7-8H2.
What are the key properties of (5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone?
(5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 306.16 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromonaphthalen-2-yl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 123575472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).