2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol

C12H15BrN2O — CID 155162232

IUPAC2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol
SMILESC#Cc1cc(Br)cnc1NC(C)(CC)CO
InChIInChI=1S/C12H15BrN2O/c1-4-9-6-10(13)7-14-11(9)15-12(3,5-2)8-16/h1,6-7,16H,5,8H2,2-3H3,(H,14,15)
InChIKeyKHLWBKHPHVITDX-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.40
Rot. Bonds4

About 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol

2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol (PubChem CID 155162232) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol
PubChem CID155162232
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol
SMILESC#Cc1cc(Br)cnc1NC(C)(CC)CO
InChIInChI=1S/C12H15BrN2O/c1-4-9-6-10(13)7-14-11(9)15-12(3,5-2)8-16/h1,6-7,16H,5,8H2,2-3H3,(H,14,15)
InChIKeyKHLWBKHPHVITDX-UHFFFAOYSA-N
XLogP2.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-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

2-Acetylamino-5-bromo-3-methylpyridine
CID 901948
2-((5-Bromopyridin-2-yl)amino)-2-methylpropan-1-ol
CID 43500209
2-Acetylamino-3-bromo-5-methylpyridine
CID 15179564
1-(3-Bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263675
1-(5-Bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263690
(3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263692
(3R,4R)-1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263707
(2S)-2-((5-bromopyridin-2-yl)amino)propan-1-ol
CID 70223643
2-[(5-Bromo-2-Pyridyl)-Methyl-Amino]ethanol
CID 10657129
1-[[(5-Bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 71983720
(2S)-2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 86818054
(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263696

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol (CID 155162232) is 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol is C#Cc1cc(Br)cnc1NC(C)(CC)CO.
What is the InChIKey of 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol?
The InChIKey is KHLWBKHPHVITDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-4-9-6-10(13)7-14-11(9)15-12(3,5-2)8-16/h1,6-7,16H,5,8H2,2-3H3,(H,14,15).
What are the key properties of 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol?
2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol has a molecular weight of 283.17 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 155162232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).