4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol

C10H11BrN2O — CID 58129303

IUPAC4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc(Br)cnc1N
InChIInChI=1S/C10H11BrN2O/c1-10(2,14)4-3-7-5-8(11)6-13-9(7)12/h5-6,14H,1-2H3,(H2,12,13)
InChIKeyZJDLSBLSLLRJJW-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.55
Rot. Bonds

About 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol

4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol (PubChem CID 58129303) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol
PubChem CID58129303
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc(Br)cnc1N
InChIInChI=1S/C10H11BrN2O/c1-10(2,14)4-3-7-5-8(11)6-13-9(7)12/h5-6,14H,1-2H3,(H2,12,13)
InChIKeyZJDLSBLSLLRJJW-UHFFFAOYSA-N
XLogP1.55
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol (CID 58129303) is 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1cc(Br)cnc1N.
What is the InChIKey of 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol?
The InChIKey is ZJDLSBLSLLRJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-10(2,14)4-3-7-5-8(11)6-13-9(7)12/h5-6,14H,1-2H3,(H2,12,13).
What are the key properties of 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol?
4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol has a molecular weight of 255.11 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-bromo-3-pyridinyl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 58129303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).