lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate

C11H13LiN2O — CID 156675221

IUPAClithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate
SMILESCC(C)(C)n1c([O-])cc2cccnc21.[Li+]
InChIInChI=1S/C11H14N2O.Li/c1-11(2,3)13-9(14)7-8-5-4-6-12-10(8)13;/h4-7,14H,1-3H3;/q;+1/p-1
InChIKeyCSMBXXRQWMSKRJ-UHFFFAOYSA-M
MW196.18 g/mol
LogP-1.13
Rot. Bonds

About lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate

lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate (PubChem CID 156675221) has the molecular formula C11H13LiN2O and a molecular weight of 196.18 g/mol. Its IUPAC name is lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate.

Molecular Properties

Compound Namelithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate
PubChem CID156675221
Molecular FormulaC11H13LiN2O
Molecular Weight196.18 g/mol
Exact Mass196.12
IUPAC Namelithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate
SMILESCC(C)(C)n1c([O-])cc2cccnc21.[Li+]
InChIInChI=1S/C11H14N2O.Li/c1-11(2,3)13-9(14)7-8-5-4-6-12-10(8)13;/h4-7,14H,1-3H3;/q;+1/p-1
InChIKeyCSMBXXRQWMSKRJ-UHFFFAOYSA-M
XLogP-1.13
TPSA40.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-oxidopyrrolo[2,3-b]pyridine
CID 142719673
(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid
CID 68721308
1,3-ditert-butylimidazo[4,5-b]pyridin-2-one
CID 177289044
1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one
CID 139622360
4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one
CID 164662772
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110626
1-propan-2-ylpyrrolo[2,3-b]pyridin-2-amine
CID 170310746
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648
6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
CID 58517811
2-(5-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)propan-2-ol
CID 140781022
1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 69081244

Frequently Asked Questions

What is the IUPAC name of lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate?
The IUPAC name of lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate (CID 156675221) is lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate.
What is the SMILES notation for lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate?
The canonical SMILES for lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate is CC(C)(C)n1c([O-])cc2cccnc21.[Li+].
What is the InChIKey of lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate?
The InChIKey is CSMBXXRQWMSKRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2O.Li/c1-11(2,3)13-9(14)7-8-5-4-6-12-10(8)13;/h4-7,14H,1-3H3;/q;+1/p-1.
What are the key properties of lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate?
lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate has a molecular weight of 196.18 g/mol, XLogP of -1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate is sourced from PubChem (CID 156675221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).