6-methanidylidene-3H-pyridin-3-ylium

C6H5N — CID 59909692

IUPAC6-methanidylidene-3H-pyridin-3-ylium
SMILES[H]/[C-]=C1\C=C[CH+]C=N1
InChIInChI=1S/C6H5N/c1-6-4-2-3-5-7-6/h1-5H
InChIKeyBIJZEKWERHBIDG-UHFFFAOYSA-N
MW91.11 g/mol
LogP1.15
Rot. Bonds

About 6-methanidylidene-3H-pyridin-3-ylium

6-methanidylidene-3H-pyridin-3-ylium (PubChem CID 59909692) has the molecular formula C6H5N and a molecular weight of 91.11 g/mol. Its IUPAC name is 6-methanidylidene-3H-pyridin-3-ylium.

Molecular Properties

Compound Name6-methanidylidene-3H-pyridin-3-ylium
PubChem CID59909692
Molecular FormulaC6H5N
Molecular Weight91.11 g/mol
Exact Mass91.04
IUPAC Name6-methanidylidene-3H-pyridin-3-ylium
SMILES[H]/[C-]=C1\C=C[CH+]C=N1
InChIInChI=1S/C6H5N/c1-6-4-2-3-5-7-6/h1-5H
InChIKeyBIJZEKWERHBIDG-UHFFFAOYSA-N
XLogP1.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 51.15
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 6-methanidylidene-3H-pyridin-3-ylium?
The IUPAC name of 6-methanidylidene-3H-pyridin-3-ylium (CID 59909692) is 6-methanidylidene-3H-pyridin-3-ylium.
What is the SMILES notation for 6-methanidylidene-3H-pyridin-3-ylium?
The canonical SMILES for 6-methanidylidene-3H-pyridin-3-ylium is [H]/[C-]=C1\C=C[CH+]C=N1.
What is the InChIKey of 6-methanidylidene-3H-pyridin-3-ylium?
The InChIKey is BIJZEKWERHBIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N/c1-6-4-2-3-5-7-6/h1-5H.
What are the key properties of 6-methanidylidene-3H-pyridin-3-ylium?
6-methanidylidene-3H-pyridin-3-ylium has a molecular weight of 91.11 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanidylidene-3H-pyridin-3-ylium is sourced from PubChem (CID 59909692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).