2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride

C10H13BrClNO — CID 171195910

IUPAC2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
SMILESCl.Oc1ccc([C@H]2CCCN2)cc1Br
InChIInChI=1S/C10H12BrNO.ClH/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9;/h3-4,6,9,12-13H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyRTQCEUFCLMFKTD-SBSPUUFOSA-N
MW278.58 g/mol
LogP3.00
Rot. Bonds1

About 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride

2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride (PubChem CID 171195910) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
PubChem CID171195910
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
SMILESCl.Oc1ccc([C@H]2CCCN2)cc1Br
InChIInChI=1S/C10H12BrNO.ClH/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9;/h3-4,6,9,12-13H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyRTQCEUFCLMFKTD-SBSPUUFOSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518284
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
2-bromo-4-[(2R)-piperazin-2-yl]phenol
CID 130705473
2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
CID 117480672
2-(4-bromo-3-iodophenyl)pyrrolidine
CID 130043760
2-hydroxy-5-pyrrolidin-2-ylbenzonitrile
CID 77131425
2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The IUPAC name of 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride (CID 171195910) is 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The canonical SMILES for 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride is Cl.Oc1ccc([C@H]2CCCN2)cc1Br.
What is the InChIKey of 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The InChIKey is RTQCEUFCLMFKTD-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12BrNO.ClH/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9;/h3-4,6,9,12-13H,1-2,5H2;1H/t9-;/m1./s1.
What are the key properties of 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride has a molecular weight of 278.58 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 171195910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).