(2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine

C12H12N2 — CID 22081150

IUPAC(2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine
SMILESC=[n+]1cccc/c1=C1\C=CC=CN1[CH2-]
InChIInChI=1S/C12H12N2/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2/h3-10H,1-2H2/b12-11-
InChIKeyBFHXSUNERZPPTF-QXMHVHEDSA-N
MW184.24 g/mol
LogP0.90
Rot. Bonds

About (2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine

(2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine (PubChem CID 22081150) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine.

Molecular Properties

Compound Name(2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine
PubChem CID22081150
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name(2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine
SMILESC=[n+]1cccc/c1=C1\C=CC=CN1[CH2-]
InChIInChI=1S/C12H12N2/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2/h3-10H,1-2H2/b12-11-
InChIKeyBFHXSUNERZPPTF-QXMHVHEDSA-N
XLogP0.90
TPSA9.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine?
The IUPAC name of (2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine (CID 22081150) is (2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine.
What is the SMILES notation for (2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine?
The canonical SMILES for (2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine is C=[n+]1cccc/c1=C1\C=CC=CN1[CH2-].
What is the InChIKey of (2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine?
The InChIKey is BFHXSUNERZPPTF-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H12N2/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2/h3-10H,1-2H2/b12-11-.
What are the key properties of (2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine?
(2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine has a molecular weight of 184.24 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-methanidyl-2-(1-methylidenepyridin-1-ium-2-ylidene)pyridine is sourced from PubChem (CID 22081150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).