1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol

C10H15BrN2O — CID 114869387

IUPAC1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
SMILESCCC(O)CNc1cc(C)c(Br)cn1
InChIInChI=1S/C10H15BrN2O/c1-3-8(14)5-12-10-4-7(2)9(11)6-13-10/h4,6,8,14H,3,5H2,1-2H3,(H,12,13)
InChIKeyDANACNJEBXSECK-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.34
Rot. Bonds4

About 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol

1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol (PubChem CID 114869387) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
PubChem CID114869387
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
SMILESCCC(O)CNc1cc(C)c(Br)cn1
InChIInChI=1S/C10H15BrN2O/c1-3-8(14)5-12-10-4-7(2)9(11)6-13-10/h4,6,8,14H,3,5H2,1-2H3,(H,12,13)
InChIKeyDANACNJEBXSECK-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol 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

3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
CID 86802622
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159322
(1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol
CID 166123718
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103858145
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
CID 130655433
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine
CID 157426912
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol (CID 114869387) is 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol is CCC(O)CNc1cc(C)c(Br)cn1.
What is the InChIKey of 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol?
The InChIKey is DANACNJEBXSECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-3-8(14)5-12-10-4-7(2)9(11)6-13-10/h4,6,8,14H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol?
1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol has a molecular weight of 259.15 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 114869387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).