5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine

C11H15BrN2O — CID 115922851

IUPAC5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cncc(Br)c1)C1CCOC1
InChIInChI=1S/C11H15BrN2O/c1-8(9-2-3-15-7-9)14-11-4-10(12)5-13-6-11/h4-6,8-9,14H,2-3,7H2,1H3
InChIKeyNYWKPVBBCGPVCO-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine

5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine (PubChem CID 115922851) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine
PubChem CID115922851
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine
SMILESCC(Nc1cncc(Br)c1)C1CCOC1
InChIInChI=1S/C11H15BrN2O/c1-8(9-2-3-15-7-9)14-11-4-10(12)5-13-6-11/h4-6,8-9,14H,2-3,7H2,1H3
InChIKeyNYWKPVBBCGPVCO-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-N-[1-(oxolan-3-yloxy)propan-2-yl]pyridin-3-amine
CID 133348324
3-bromo-N-[1-(oxolan-3-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 107335961
3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115929008
5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine
CID 97318476
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 103786183
N-(1-cyclopentylethyl)-5-methylpyridin-3-amine
CID 115922263
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 113350201
1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136699
4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 114838689
5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 115681781
2-chloro-1-N,1-N-dimethyl-4-N-[1-(oxolan-3-yl)ethyl]benzene-1,4-diamine
CID 115929193

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine (CID 115922851) is 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine is CC(Nc1cncc(Br)c1)C1CCOC1.
What is the InChIKey of 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine?
The InChIKey is NYWKPVBBCGPVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(9-2-3-15-7-9)14-11-4-10(12)5-13-6-11/h4-6,8-9,14H,2-3,7H2,1H3.
What are the key properties of 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine?
5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine has a molecular weight of 271.16 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 115922851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).