tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate

C10H14BrN3O2 — CID 66820532

IUPACtert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(Br)cc1N
InChIInChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-8-7(12)4-6(11)5-13-8/h4-5H,12H2,1-3H3,(H,13,14,15)
InChIKeyAWKNIXKGJPGTPD-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.77
Rot. Bonds1

About tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate

tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate (PubChem CID 66820532) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
PubChem CID66820532
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Nametert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(Br)cc1N
InChIInChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-8-7(12)4-6(11)5-13-8/h4-5H,12H2,1-3H3,(H,13,14,15)
InChIKeyAWKNIXKGJPGTPD-UHFFFAOYSA-N
XLogP2.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ditert-butyl 2-amino-2-[(3-amino-5-bromo-2-pyridinyl)amino]propanedioate
CID 174674303
tert-butyl 4-[(3-amino-5-bromo-2-pyridinyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 66905116
[5-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
CID 86767368
tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate
CID 70162859
(2S)-3-[(3-amino-5-bromo-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 167472277
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
tert-butyl N-[2-(5-bromo-2-carbamoyl-3-pyridinyl)phenyl]carbamate
CID 69363019
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate (CID 66820532) is tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ncc(Br)cc1N.
What is the InChIKey of tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate?
The InChIKey is AWKNIXKGJPGTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-8-7(12)4-6(11)5-13-8/h4-5H,12H2,1-3H3,(H,13,14,15).
What are the key properties of tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate?
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate has a molecular weight of 288.14 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate is sourced from PubChem (CID 66820532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).