lithium 5-ethyl-2-methyl-3H-pyridin-3-ide

C8H10LiN — CID 58910058

IUPAClithium 5-ethyl-2-methyl-3H-pyridin-3-ide
SMILESCCc1c[c-]c(C)nc1.[Li+]
InChIInChI=1S/C8H10N.Li/c1-3-8-5-4-7(2)9-6-8;/h5-6H,3H2,1-2H3;/q-1;+1
InChIKeyKCMVQTKMYMYENW-UHFFFAOYSA-N
MW127.12 g/mol
LogP-1.24
Rot. Bonds1

About lithium 5-ethyl-2-methyl-3H-pyridin-3-ide

lithium 5-ethyl-2-methyl-3H-pyridin-3-ide (PubChem CID 58910058) has the molecular formula C8H10LiN and a molecular weight of 127.12 g/mol. Its IUPAC name is lithium 5-ethyl-2-methyl-3H-pyridin-3-ide.

Molecular Properties

Compound Namelithium 5-ethyl-2-methyl-3H-pyridin-3-ide
PubChem CID58910058
Molecular FormulaC8H10LiN
Molecular Weight127.12 g/mol
Exact Mass127.10
IUPAC Namelithium 5-ethyl-2-methyl-3H-pyridin-3-ide
SMILESCCc1c[c-]c(C)nc1.[Li+]
InChIInChI=1S/C8H10N.Li/c1-3-8-5-4-7(2)9-6-8;/h5-6H,3H2,1-2H3;/q-1;+1
InChIKeyKCMVQTKMYMYENW-UHFFFAOYSA-N
XLogP-1.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Lithium 5-methylpyridin-2-ide
CID 15815864
(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
(1Z)-1-Benzazocine
CID 17846319
Dibenz[b,f]azocine
CID 23633137
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
Dibenzo[b,f][1,4]diazocine
CID 11969075
Benz[b]azocine
CID 23636810
fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium
CID 171629318
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
3-methyl-5H-indole
CID 20712166
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
lithium 6-methyl-3H-pyridin-3-ide
CID 22323741

Frequently Asked Questions

What is the IUPAC name of lithium 5-ethyl-2-methyl-3H-pyridin-3-ide?
The IUPAC name of lithium 5-ethyl-2-methyl-3H-pyridin-3-ide (CID 58910058) is lithium 5-ethyl-2-methyl-3H-pyridin-3-ide.
What is the SMILES notation for lithium 5-ethyl-2-methyl-3H-pyridin-3-ide?
The canonical SMILES for lithium 5-ethyl-2-methyl-3H-pyridin-3-ide is CCc1c[c-]c(C)nc1.[Li+].
What is the InChIKey of lithium 5-ethyl-2-methyl-3H-pyridin-3-ide?
The InChIKey is KCMVQTKMYMYENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.Li/c1-3-8-5-4-7(2)9-6-8;/h5-6H,3H2,1-2H3;/q-1;+1.
What are the key properties of lithium 5-ethyl-2-methyl-3H-pyridin-3-ide?
lithium 5-ethyl-2-methyl-3H-pyridin-3-ide has a molecular weight of 127.12 g/mol, XLogP of -1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-ethyl-2-methyl-3H-pyridin-3-ide is sourced from PubChem (CID 58910058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).