lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide

C12H17BrLiN — CID 59171144

IUPAClithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide
SMILESCC(C)c1cc(Br)cc(C(C)C)c1[NH-].[Li+]
InChIInChI=1S/C12H17BrN.Li/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14;/h5-8,14H,1-4H3;/q-1;+1
InChIKeyZQHODEZUNWICKJ-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.38
Rot. Bonds2

About lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide

lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide (PubChem CID 59171144) has the molecular formula C12H17BrLiN and a molecular weight of 262.12 g/mol. Its IUPAC name is lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide.

Molecular Properties

Compound Namelithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide
PubChem CID59171144
Molecular FormulaC12H17BrLiN
Molecular Weight262.12 g/mol
Exact Mass261.07
IUPAC Namelithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide
SMILESCC(C)c1cc(Br)cc(C(C)C)c1[NH-].[Li+]
InChIInChI=1S/C12H17BrN.Li/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14;/h5-8,14H,1-4H3;/q-1;+1
InChIKeyZQHODEZUNWICKJ-UHFFFAOYSA-N
XLogP2.38
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
5-bromo-2-propan-2-ylbenzene-1,3-diol
CID 19910498
[1,3-bis[4-bromo-2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium
CID 87187948
1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene
CID 126608080
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
2-[4-bromo-2,6-di(propan-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168606410
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
2-bromo-5-iodo-1,3-di(propan-2-yl)benzene
CID 86057486
1,2,3,4-tetrabromo-5-propan-2-ylbenzene
CID 22164504
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-ol
CID 115403013
(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
CID 167738069

Frequently Asked Questions

What is the IUPAC name of lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide?
The IUPAC name of lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide (CID 59171144) is lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide.
What is the SMILES notation for lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide?
The canonical SMILES for lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide is CC(C)c1cc(Br)cc(C(C)C)c1[NH-].[Li+].
What is the InChIKey of lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide?
The InChIKey is ZQHODEZUNWICKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN.Li/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14;/h5-8,14H,1-4H3;/q-1;+1.
What are the key properties of lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide?
lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide has a molecular weight of 262.12 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [4-bromo-2,6-di(propan-2-yl)phenyl]azanide is sourced from PubChem (CID 59171144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).