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

C10H14BrN3O2 — CID 90190519

IUPACtert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNc1ccc(Br)cn1
InChIInChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13)(H,14,15)
InChIKeyIGGSFPSFRGFATM-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.70
Rot. Bonds2

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

tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate (PubChem CID 90190519) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
PubChem CID90190519
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Nametert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNc1ccc(Br)cn1
InChIInChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13)(H,14,15)
InChIKeyIGGSFPSFRGFATM-UHFFFAOYSA-N
XLogP2.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
CID 124909096
tert-butyl N-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 177054913
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
CID 54591947
tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate
CID 174657616
[(5-bromo-2-pyridinyl)amino]urea
CID 130626897
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822
N'-(5-bromo-2-pyridinyl)-2,2-difluoro-3-methoxypropanehydrazide
CID 66849873
tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate
CID 10991747
N'-(5-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(3-methylphenyl)acetohydrazide
CID 1070867
tert-butyl N-[(1S)-2-[(5-bromo-2-pyridinyl)amino]-1-(4-methylcyclohexyl)-2-oxoethyl]carbamate
CID 166889051
tert-butyl N-[3-(5-bromo-2-pyridinyl)-3-hydroxypropyl]carbamate
CID 86713197
tert-butyl N-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]carbamate
CID 146021302

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate (CID 90190519) is tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate is CC(C)(C)OC(=O)NNc1ccc(Br)cn1.
What is the InChIKey of tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate?
The InChIKey is IGGSFPSFRGFATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13)(H,14,15).
What are the key properties of tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate?
tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate has a molecular weight of 288.14 g/mol, XLogP of 2.70, 2 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-2-pyridinyl)amino]carbamate is sourced from PubChem (CID 90190519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).