[5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol

C13H20BrN3O — CID 55162448

IUPAC[5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol
SMILESCN(CCN1CCCC1)c1ncc(Br)cc1CO
InChIInChI=1S/C13H20BrN3O/c1-16(6-7-17-4-2-3-5-17)13-11(10-18)8-12(14)9-15-13/h8-9,18H,2-7,10H2,1H3
InChIKeyYVVKJPIXAKMFBN-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.87
Rot. Bonds5

About [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol

[5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol (PubChem CID 55162448) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol
PubChem CID55162448
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name[5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol
SMILESCN(CCN1CCCC1)c1ncc(Br)cc1CO
InChIInChI=1S/C13H20BrN3O/c1-16(6-7-17-4-2-3-5-17)13-11(10-18)8-12(14)9-15-13/h8-9,18H,2-7,10H2,1H3
InChIKeyYVVKJPIXAKMFBN-UHFFFAOYSA-N
XLogP1.87
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol (CID 55162448) is [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol is CN(CCN1CCCC1)c1ncc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol?
The InChIKey is YVVKJPIXAKMFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-16(6-7-17-4-2-3-5-17)13-11(10-18)8-12(14)9-15-13/h8-9,18H,2-7,10H2,1H3.
What are the key properties of [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol?
[5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol has a molecular weight of 314.23 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 55162448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).