2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid

C10H10BrNO3 — CID 131498459

IUPAC2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Br)c(O)c1[C@H]1CCN1
InChIInChI=1S/C10H10BrNO3/c11-6-2-1-5(10(14)15)8(9(6)13)7-3-4-12-7/h1-2,7,12-13H,3-4H2,(H,14,15)/t7-/m1/s1
InChIKeyPJZXJRORMNAZKB-SSDOTTSWSA-N
MW272.10 g/mol
LogP1.89
Rot. Bonds2

About 2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid

2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid (PubChem CID 131498459) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid
PubChem CID131498459
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Br)c(O)c1[C@H]1CCN1
InChIInChI=1S/C10H10BrNO3/c11-6-2-1-5(10(14)15)8(9(6)13)7-3-4-12-7/h1-2,7,12-13H,3-4H2,(H,14,15)/t7-/m1/s1
InChIKeyPJZXJRORMNAZKB-SSDOTTSWSA-N
XLogP1.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-2-yl)-3-fluorobenzoic acid
CID 55297953
2-[(2S)-azetidin-2-yl]-3-bromo-6-chlorophenol
CID 130912925
2,4-dibromo-3-hydroxybenzoic acid
CID 14851210
2-hydroxy-4-methyl-3-[(2R)-pyrrolidin-2-yl]benzoic acid
CID 66519490
2-[(2S)-azetidin-2-yl]-3-bromo-6-methoxyphenol
CID 130859989
5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride
CID 171197416
2-(azetidin-2-yl)-4-fluorobenzoic acid
CID 55297261
6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 131173682
3-[(2R)-azetidin-2-yl]-2-hydroxy-5-methylbenzoic acid
CID 171259780
2-[(2S)-azetidin-2-yl]-3-bromo-5,6-difluorophenol
CID 130700324
2-(3-bromo-2,6-difluorophenyl)azetidine
CID 130061365
5-[(2S)-azetidin-2-yl]-2-methylbenzoic acid
CID 131057016

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid?
The IUPAC name of 2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid (CID 131498459) is 2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid.
What is the SMILES notation for 2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid?
The canonical SMILES for 2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid is O=C(O)c1ccc(Br)c(O)c1[C@H]1CCN1.
What is the InChIKey of 2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid?
The InChIKey is PJZXJRORMNAZKB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-6-2-1-5(10(14)15)8(9(6)13)7-3-4-12-7/h1-2,7,12-13H,3-4H2,(H,14,15)/t7-/m1/s1.
What are the key properties of 2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid?
2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid has a molecular weight of 272.10 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid is sourced from PubChem (CID 131498459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).