(2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium

C14H10N4 — CID 20740752

IUPAC(2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium
SMILES[C-]#[N+]C1=C/C(=c2\cc([N+]#[C-])cc[n+]2=C)N([CH2-])C=C1
InChIInChI=1S/C14H10N4/c1-15-11-5-7-17(3)13(9-11)14-10-12(16-2)6-8-18(14)4/h5-10H,3-4H2/b14-13-
InChIKeyMFVXBRVKNHGCMR-YPKPFQOOSA-N
MW234.26 g/mol
LogP1.70
Rot. Bonds

About (2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium

(2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium (PubChem CID 20740752) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is (2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium.

Molecular Properties

Compound Name(2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium
PubChem CID20740752
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name(2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium
SMILES[C-]#[N+]C1=C/C(=c2\cc([N+]#[C-])cc[n+]2=C)N([CH2-])C=C1
InChIInChI=1S/C14H10N4/c1-15-11-5-7-17(3)13(9-11)14-10-12(16-2)6-8-18(14)4/h5-10H,3-4H2/b14-13-
InChIKeyMFVXBRVKNHGCMR-YPKPFQOOSA-N
XLogP1.70
TPSA17.86 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.70
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)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium?
The IUPAC name of (2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium (CID 20740752) is (2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium.
What is the SMILES notation for (2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium?
The canonical SMILES for (2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium is [C-]#[N+]C1=C/C(=c2\cc([N+]#[C-])cc[n+]2=C)N([CH2-])C=C1.
What is the InChIKey of (2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium?
The InChIKey is MFVXBRVKNHGCMR-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H10N4/c1-15-11-5-7-17(3)13(9-11)14-10-12(16-2)6-8-18(14)4/h5-10H,3-4H2/b14-13-.
What are the key properties of (2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium?
(2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium has a molecular weight of 234.26 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-isocyano-2-(4-isocyano-1-methanidyl-2-pyridinylidene)-1-methylidenepyridin-1-ium is sourced from PubChem (CID 20740752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).