tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate

C10H12Br2N2O2 — CID 121232345

IUPACtert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Br)nc(Br)c1
InChIInChI=1S/C10H12Br2N2O2/c1-10(2,3)16-9(15)13-6-4-7(11)14-8(12)5-6/h4-5H,1-3H3,(H,13,14,15)
InChIKeyICVRVLLQWSDSCV-UHFFFAOYSA-N
MW352.03 g/mol
LogP3.95
Rot. Bonds1

About tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate

tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate (PubChem CID 121232345) has the molecular formula C10H12Br2N2O2 and a molecular weight of 352.03 g/mol. Its IUPAC name is tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
PubChem CID121232345
Molecular FormulaC10H12Br2N2O2
Molecular Weight352.03 g/mol
Exact Mass349.93
IUPAC Nametert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Br)nc(Br)c1
InChIInChI=1S/C10H12Br2N2O2/c1-10(2,3)16-9(15)13-6-4-7(11)14-8(12)5-6/h4-5H,1-3H3,(H,13,14,15)
InChIKeyICVRVLLQWSDSCV-UHFFFAOYSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
CID 22033548
tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate
CID 156572162
tert-butyl N-(3,5-dinitrosophenyl)carbamate
CID 129228787
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate
CID 15273422
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate
CID 59051841
tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate
CID 177331060

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate (CID 121232345) is tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1cc(Br)nc(Br)c1.
What is the InChIKey of tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate?
The InChIKey is ICVRVLLQWSDSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O2/c1-10(2,3)16-9(15)13-6-4-7(11)14-8(12)5-6/h4-5H,1-3H3,(H,13,14,15).
What are the key properties of tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate?
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate has a molecular weight of 352.03 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate is sourced from PubChem (CID 121232345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).