2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol

C14H19BrN2O — CID 126814623

IUPAC2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1c1ccc(Br)cn1
InChIInChI=1S/C14H19BrN2O/c15-10-6-7-14(16-9-10)17-8-2-4-12(17)11-3-1-5-13(11)18/h6-7,9,11-13,18H,1-5,8H2
InChIKeyYDSCHVIGBWYPDG-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.97
Rot. Bonds2

About 2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 126814623) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID126814623
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1c1ccc(Br)cn1
InChIInChI=1S/C14H19BrN2O/c15-10-6-7-14(16-9-10)17-8-2-4-12(17)11-3-1-5-13(11)18/h6-7,9,11-13,18H,1-5,8H2
InChIKeyYDSCHVIGBWYPDG-UHFFFAOYSA-N
XLogP2.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol (CID 126814623) is 2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol is OC1CCCC1C1CCCN1c1ccc(Br)cn1.
What is the InChIKey of 2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is YDSCHVIGBWYPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-10-6-7-14(16-9-10)17-8-2-4-12(17)11-3-1-5-13(11)18/h6-7,9,11-13,18H,1-5,8H2.
What are the key properties of 2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 311.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 126814623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).