4-methyl-2H-pyridin-2-ide

C6H6N- — CID 125458985

IUPAC4-methyl-2H-pyridin-2-ide
SMILESCc1c[c-]ncc1
InChIInChI=1S/C6H6N/c1-6-2-4-7-5-3-6/h2-4H,1H3/q-1
InChIKeyQQQWWPUHFQZPLW-UHFFFAOYSA-N
MW92.12 g/mol
LogP1.19
Rot. Bonds

About 4-methyl-2H-pyridin-2-ide

4-methyl-2H-pyridin-2-ide (PubChem CID 125458985) has the molecular formula C6H6N- and a molecular weight of 92.12 g/mol. Its IUPAC name is 4-methyl-2H-pyridin-2-ide.

Molecular Properties

Compound Name4-methyl-2H-pyridin-2-ide
PubChem CID125458985
Molecular FormulaC6H6N-
Molecular Weight92.12 g/mol
Exact Mass92.05
IUPAC Name4-methyl-2H-pyridin-2-ide
SMILESCc1c[c-]ncc1
InChIInChI=1S/C6H6N/c1-6-2-4-7-5-3-6/h2-4H,1H3/q-1
InChIKeyQQQWWPUHFQZPLW-UHFFFAOYSA-N
XLogP1.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.12
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-pyridin-2-ide?
The IUPAC name of 4-methyl-2H-pyridin-2-ide (CID 125458985) is 4-methyl-2H-pyridin-2-ide.
What is the SMILES notation for 4-methyl-2H-pyridin-2-ide?
The canonical SMILES for 4-methyl-2H-pyridin-2-ide is Cc1c[c-]ncc1.
What is the InChIKey of 4-methyl-2H-pyridin-2-ide?
The InChIKey is QQQWWPUHFQZPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N/c1-6-2-4-7-5-3-6/h2-4H,1H3/q-1.
What are the key properties of 4-methyl-2H-pyridin-2-ide?
4-methyl-2H-pyridin-2-ide has a molecular weight of 92.12 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-pyridin-2-ide is sourced from PubChem (CID 125458985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).