tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate

C10H12BrClN2O3 — CID 71743183

IUPACtert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(Cl)c(Br)cc1O
InChIInChI=1S/C10H12BrClN2O3/c1-10(2,3)17-9(16)14-8-6(15)4-5(11)7(12)13-8/h4,15H,1-3H3,(H,13,14,16)
InChIKeyMZCWPLCBROEIBX-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.55
Rot. Bonds1

About tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate

tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate (PubChem CID 71743183) has the molecular formula C10H12BrClN2O3 and a molecular weight of 323.57 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate
PubChem CID71743183
Molecular FormulaC10H12BrClN2O3
Molecular Weight323.57 g/mol
Exact Mass321.97
IUPAC Nametert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(Cl)c(Br)cc1O
InChIInChI=1S/C10H12BrClN2O3/c1-10(2,3)17-9(16)14-8-6(15)4-5(11)7(12)13-8/h4,15H,1-3H3,(H,13,14,16)
InChIKeyMZCWPLCBROEIBX-UHFFFAOYSA-N
XLogP3.55
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.55
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

methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-[5-bromo-6-chloro-3-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-pyridinyl]carbamate
CID 143774862
[5-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
CID 86767368
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-(2-bromo-5-chloro-4-fluorophenyl)carbamate
CID 69110389
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532
tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate
CID 102538020
tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate
CID 20623978
tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate
CID 138106122
tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate
CID 155388751

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate (CID 71743183) is tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1nc(Cl)c(Br)cc1O.
What is the InChIKey of tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate?
The InChIKey is MZCWPLCBROEIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O3/c1-10(2,3)17-9(16)14-8-6(15)4-5(11)7(12)13-8/h4,15H,1-3H3,(H,13,14,16).
What are the key properties of tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate?
tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate has a molecular weight of 323.57 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate is sourced from PubChem (CID 71743183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).