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

C10H15BrN2O — CID 130486029

IUPAC3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
SMILESCC(Nc1cncc(Br)c1)C(C)(C)O
InChIInChI=1S/C10H15BrN2O/c1-7(10(2,3)14)13-9-4-8(11)5-12-6-9/h4-7,13-14H,1-3H3
InChIKeyQYSBUVGWYBEIIC-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.42
Rot. Bonds3

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

3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol (PubChem CID 130486029) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
PubChem CID130486029
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
SMILESCC(Nc1cncc(Br)c1)C(C)(C)O
InChIInChI=1S/C10H15BrN2O/c1-7(10(2,3)14)13-9-4-8(11)5-12-6-9/h4-7,13-14H,1-3H3
InChIKeyQYSBUVGWYBEIIC-UHFFFAOYSA-N
XLogP2.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-5-methylpyridin-3-amine
CID 115922281
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol
CID 107572119
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 115657686
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 113350201
CID 86679153
CID 86679153
5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine
CID 126561495
5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
CID 113243712
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
CID 103702829
3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid
CID 130492216

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol (CID 130486029) is 3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol is CC(Nc1cncc(Br)c1)C(C)(C)O.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol?
The InChIKey is QYSBUVGWYBEIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7(10(2,3)14)13-9-4-8(11)5-12-6-9/h4-7,13-14H,1-3H3.
What are the key properties of 3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol?
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol has a molecular weight of 259.15 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 130486029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).