(2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol

C10H15BrN2O — CID 130154047

IUPAC(2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol
SMILESCC(C)(C)c1nc(N)c(CO)cc1Br
InChIInChI=1S/C10H15BrN2O/c1-10(2,3)8-7(11)4-6(5-14)9(12)13-8/h4,14H,5H2,1-3H3,(H2,12,13)
InChIKeyAQSYKDCAHIMWLJ-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.22
Rot. Bonds1

About (2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol

(2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol (PubChem CID 130154047) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is (2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol
PubChem CID130154047
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name(2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol
SMILESCC(C)(C)c1nc(N)c(CO)cc1Br
InChIInChI=1S/C10H15BrN2O/c1-10(2,3)8-7(11)4-6(5-14)9(12)13-8/h4,14H,5H2,1-3H3,(H2,12,13)
InChIKeyAQSYKDCAHIMWLJ-UHFFFAOYSA-N
XLogP2.22
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol?
The IUPAC name of (2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol (CID 130154047) is (2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol.
What is the SMILES notation for (2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol?
The canonical SMILES for (2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol is CC(C)(C)c1nc(N)c(CO)cc1Br.
What is the InChIKey of (2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol?
The InChIKey is AQSYKDCAHIMWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-10(2,3)8-7(11)4-6(5-14)9(12)13-8/h4,14H,5H2,1-3H3,(H2,12,13).
What are the key properties of (2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol?
(2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol has a molecular weight of 259.15 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-6-tert-butyl-3-pyridinyl)methanol is sourced from PubChem (CID 130154047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).