[1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate

C10H13BrN2O2 — CID 150728794

IUPAC[1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cncc(Br)c1)OC(N)=O
InChIInChI=1S/C10H13BrN2O2/c1-10(2,15-9(12)14)4-7-3-8(11)6-13-5-7/h3,5-6H,4H2,1-2H3,(H2,12,14)
InChIKeyJRJZTFPMZMODAX-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.26
Rot. Bonds3

About [1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate

[1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate (PubChem CID 150728794) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
PubChem CID150728794
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name[1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cncc(Br)c1)OC(N)=O
InChIInChI=1S/C10H13BrN2O2/c1-10(2,15-9(12)14)4-7-3-8(11)6-13-5-7/h3,5-6H,4H2,1-2H3,(H2,12,14)
InChIKeyJRJZTFPMZMODAX-UHFFFAOYSA-N
XLogP2.26
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
2-[(5-bromo-3-pyridinyl)methyl]-2-methylpentanoic acid
CID 104800669
1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
CID 104801568
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22265925
methyl 3-[(5-bromo-3-pyridinyl)methylsulfanyl]-2-methylpropanoate
CID 115629406
2-(4-bromophenyl)-1-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802785
tert-butyl N-[(E)-4-[(5-bromo-3-pyridinyl)methylamino]but-2-enyl]carbamate
CID 107253146
2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
CID 104813142
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 15541797
2-[(5-bromo-3-pyridinyl)methylsulfinyl]-2-methylpropanoic acid
CID 104808205
1-(5-bromo-3-pyridinyl)-3-tert-butylsulfanylpropan-2-one
CID 104798962
3-[2,2-bis(bromomethyl)pentyl]-5-bromopyridine
CID 104813519

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate (CID 150728794) is [1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate is CC(C)(Cc1cncc(Br)c1)OC(N)=O.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate?
The InChIKey is JRJZTFPMZMODAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-10(2,15-9(12)14)4-7-3-8(11)6-13-5-7/h3,5-6H,4H2,1-2H3,(H2,12,14).
What are the key properties of [1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate?
[1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate has a molecular weight of 273.13 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-pyridinyl)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 150728794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).