3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol

C10H11BrClNO — CID 117103942

IUPAC3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol
SMILESOC1(c2cc(Br)ccc2Cl)CCNC1
InChIInChI=1S/C10H11BrClNO/c11-7-1-2-9(12)8(5-7)10(14)3-4-13-6-10/h1-2,5,13-14H,3-4,6H2
InChIKeyOKSQKEPQKAPZIJ-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.28
Rot. Bonds1

About 3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol

3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol (PubChem CID 117103942) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol
PubChem CID117103942
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol
SMILESOC1(c2cc(Br)ccc2Cl)CCNC1
InChIInChI=1S/C10H11BrClNO/c11-7-1-2-9(12)8(5-7)10(14)3-4-13-6-10/h1-2,5,13-14H,3-4,6H2
InChIKeyOKSQKEPQKAPZIJ-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluorophenyl)pyrrolidin-3-ol
CID 79743506
3-(2-chloro-4-methylphenyl)pyrrolidin-3-ol
CID 117103965
3-(2-bromo-4-chlorophenyl)pyrrolidin-3-ol
CID 117103961
3-(2-chloro-5-fluorophenyl)piperidin-3-ol
CID 112703723
1-(5-bromo-2-chlorophenyl)cyclopentan-1-ol;4-chloro-3-(1-hydroxycyclopentyl)benzaldehyde
CID 160538863
4-(2,5-dichlorophenyl)azepan-4-ol
CID 103982873
3-(2,3-dibromophenyl)pyrrolidin-3-ol
CID 117103979
3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol
CID 117103973
3-(5-bromo-2-fluorophenyl)azetidin-3-ol
CID 79742267
3-(2-bromo-5-chlorophenyl)piperidin-3-ol
CID 117103863
(3S)-3-(4-chlorophenyl)pyrrolidin-3-ol
CID 92967135
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol (CID 117103942) is 3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol is OC1(c2cc(Br)ccc2Cl)CCNC1.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol?
The InChIKey is OKSQKEPQKAPZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c11-7-1-2-9(12)8(5-7)10(14)3-4-13-6-10/h1-2,5,13-14H,3-4,6H2.
What are the key properties of 3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol?
3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol has a molecular weight of 276.56 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 117103942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).