2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol

C11H16BrN3O — CID 103518567

IUPAC2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESNc1cncc(Br)c1N1CCC(CCO)C1
InChIInChI=1S/C11H16BrN3O/c12-9-5-14-6-10(13)11(9)15-3-1-8(7-15)2-4-16/h5-6,8,16H,1-4,7,13H2
InChIKeyWIOWWJYAYQPPQL-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.63
Rot. Bonds3

About 2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol

2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol (PubChem CID 103518567) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol
PubChem CID103518567
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESNc1cncc(Br)c1N1CCC(CCO)C1
InChIInChI=1S/C11H16BrN3O/c12-9-5-14-6-10(13)11(9)15-3-1-8(7-15)2-4-16/h5-6,8,16H,1-4,7,13H2
InChIKeyWIOWWJYAYQPPQL-UHFFFAOYSA-N
XLogP1.63
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
CID 103517907
2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796912
1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol
CID 106667492
2-[1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]ethanol
CID 114796896
2-amino-4-bromo-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzoic acid
CID 114278376
5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine
CID 103518287
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine
CID 103517696
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine
CID 103518144
2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802870

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol (CID 103518567) is 2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol is Nc1cncc(Br)c1N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol?
The InChIKey is WIOWWJYAYQPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-9-5-14-6-10(13)11(9)15-3-1-8(7-15)2-4-16/h5-6,8,16H,1-4,7,13H2.
What are the key properties of 2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol?
2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol has a molecular weight of 286.17 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103518567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).