3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride

C10H13BrClNO — CID 3051527

IUPAC3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Br)cc2)CCNC1
InChIInChI=1S/C10H12BrNO.ClH/c11-9-3-1-8(2-4-9)10(13)5-6-12-7-10;/h1-4,12-13H,5-7H2;1H
InChIKeyGGFHRJDVISAHEL-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.05
Rot. Bonds1

About 3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride

3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 3051527) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride
PubChem CID3051527
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Br)cc2)CCNC1
InChIInChI=1S/C10H12BrNO.ClH/c11-9-3-1-8(2-4-9)10(13)5-6-12-7-10;/h1-4,12-13H,5-7H2;1H
InChIKeyGGFHRJDVISAHEL-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride (CID 3051527) is 3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride is Cl.OC1(c2ccc(Br)cc2)CCNC1.
What is the InChIKey of 3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is GGFHRJDVISAHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO.ClH/c11-9-3-1-8(2-4-9)10(13)5-6-12-7-10;/h1-4,12-13H,5-7H2;1H.
What are the key properties of 3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride?
3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 278.58 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).