1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide

C9H13N — CID 59997633

IUPAC1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide
SMILESCc1[c-][n+](C)c(C)cc1C
InChIInChI=1S/C9H13N/c1-7-5-9(3)10(4)6-8(7)2/h5H,1-4H3
InChIKeyZNLCPXDJRLGOTI-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.24
Rot. Bonds

About 1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide

1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide (PubChem CID 59997633) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide.

Molecular Properties

Compound Name1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide
PubChem CID59997633
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide
SMILESCc1[c-][n+](C)c(C)cc1C
InChIInChI=1S/C9H13N/c1-7-5-9(3)10(4)6-8(7)2/h5H,1-4H3
InChIKeyZNLCPXDJRLGOTI-UHFFFAOYSA-N
XLogP1.24
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 170019336
Dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 101015672
Cyclohepta-2,4,6-trien-1-ylidene(dimethyl)azanium
CID 12485874
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20672937
Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
Cyclohexa-2,5-dien-1-ylidene(dimethyl)azanium
CID 23064131
N-methyl-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine
CID 53800904
5-ethyl-2-methyl-3H-pyridin-3-ide;yttrium
CID 57779809
(4-Methanidylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 57880709

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide?
The IUPAC name of 1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide (CID 59997633) is 1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide.
What is the SMILES notation for 1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide?
The canonical SMILES for 1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide is Cc1[c-][n+](C)c(C)cc1C.
What is the InChIKey of 1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide?
The InChIKey is ZNLCPXDJRLGOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-5-9(3)10(4)6-8(7)2/h5H,1-4H3.
What are the key properties of 1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide?
1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide has a molecular weight of 135.21 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethyl-2H-pyridin-1-ium-2-ide is sourced from PubChem (CID 59997633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).