tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate

C10H13BrClN3O2 — CID 174657616

IUPACtert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNc1ccc(Cl)c(Br)n1
InChIInChI=1S/C10H13BrClN3O2/c1-10(2,3)17-9(16)15-14-7-5-4-6(12)8(11)13-7/h4-5H,1-3H3,(H,13,14)(H,15,16)
InChIKeyZOJYFSHHBUYTER-UHFFFAOYSA-N
MW322.59 g/mol
LogP3.35
Rot. Bonds2

About tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate

tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate (PubChem CID 174657616) has the molecular formula C10H13BrClN3O2 and a molecular weight of 322.59 g/mol. Its IUPAC name is tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate
PubChem CID174657616
Molecular FormulaC10H13BrClN3O2
Molecular Weight322.59 g/mol
Exact Mass320.99
IUPAC Nametert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNc1ccc(Cl)c(Br)n1
InChIInChI=1S/C10H13BrClN3O2/c1-10(2,3)17-9(16)15-14-7-5-4-6(12)8(11)13-7/h4-5H,1-3H3,(H,13,14)(H,15,16)
InChIKeyZOJYFSHHBUYTER-UHFFFAOYSA-N
XLogP3.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
tert-butyl N-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]carbamate;ethane
CID 177168278
tert-butyl N-[[5-amino-6-(2-chloro-5-fluorophenoxy)-2-pyridinyl]amino]carbamate
CID 170436054
tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
CID 124909096
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338
6-bromo-5-chloropyridin-2-amine;tert-butyl N-(6-bromo-5-chloro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 161472878
tert-butyl N-[(3,4-dichlorophenyl)sulfonylamino]carbamate
CID 8500952
tert-butyl N-(3,6-dichloro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 146285398
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-[1-(3,4-dichlorophenyl)ethylamino]carbamate
CID 107236972
tert-butyl N-[1-(3,4-dichlorophenyl)-2-oxoethyl]carbamate
CID 147574745
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate (CID 174657616) is tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate is CC(C)(C)OC(=O)NNc1ccc(Cl)c(Br)n1.
What is the InChIKey of tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate?
The InChIKey is ZOJYFSHHBUYTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O2/c1-10(2,3)17-9(16)15-14-7-5-4-6(12)8(11)13-7/h4-5H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate?
tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate has a molecular weight of 322.59 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate is sourced from PubChem (CID 174657616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).