tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate

C10H13BrN2O3 — CID 155702377

IUPACtert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Br)ncc1O
InChIInChI=1S/C10H13BrN2O3/c1-10(2,3)16-9(15)13-6-4-8(11)12-5-7(6)14/h4-5,14H,1-3H3,(H,12,13,15)
InChIKeyDUWUOBBIXUSZQI-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate

tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate (PubChem CID 155702377) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
PubChem CID155702377
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Nametert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Br)ncc1O
InChIInChI=1S/C10H13BrN2O3/c1-10(2,3)16-9(15)13-6-4-8(11)12-5-7(6)14/h4-5,14H,1-3H3,(H,12,13,15)
InChIKeyDUWUOBBIXUSZQI-UHFFFAOYSA-N
XLogP2.90
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(6-bromo-4-formyl-3-pyridinyl)carbamate
CID 130115138
tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 133056033
tert-butyl N-(2-bromo-5-nitro-4-pyridinyl)carbamate
CID 155389995
tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 142447480
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
CID 178125649
tert-butyl N-(6-chloro-4-formyl-3-pyridinyl)carbamate
CID 58524401

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate (CID 155702377) is tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1cc(Br)ncc1O.
What is the InChIKey of tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate?
The InChIKey is DUWUOBBIXUSZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-10(2,3)16-9(15)13-6-4-8(11)12-5-7(6)14/h4-5,14H,1-3H3,(H,12,13,15).
What are the key properties of tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate?
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate has a molecular weight of 289.13 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate is sourced from PubChem (CID 155702377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).