CID 59444659

C24H20CrN6 — CID 59444659

IUPAC—
SMILES[CH]([N-][CH]c1ccccn1)c1ccccn1.[CH]([N-][CH]c1ccccn1)c1ccccn1.[Cr+2]
InChIInChI=1S/2C12H10N3.Cr/c2*1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;/h2*1-10H;/q2*-1;+2
InChIKeyBTKPFQQCLFYGMB-UHFFFAOYSA-N
MW444.46 g/mol
LogP5.14
Rot. Bonds8

About CID 59444659

CID 59444659 (PubChem CID 59444659) has the molecular formula C24H20CrN6 and a molecular weight of 444.46 g/mol.

Molecular Properties

Compound NameCID 59444659
PubChem CID59444659
Molecular FormulaC24H20CrN6
Molecular Weight444.46 g/mol
Exact Mass444.12
IUPAC Name—
SMILES[CH]([N-][CH]c1ccccn1)c1ccccn1.[CH]([N-][CH]c1ccccn1)c1ccccn1.[Cr+2]
InChIInChI=1S/2C12H10N3.Cr/c2*1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;/h2*1-10H;/q2*-1;+2
InChIKeyBTKPFQQCLFYGMB-UHFFFAOYSA-N
XLogP5.14
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
methanamine;2-[(Z)-prop-1-enyl]pyridine
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2-ethenylpyridine;hydrate
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tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
2-ethenylpyridine;rhodium
CID 174919762
2-ethenylpyridine;hexahydroiodide
CID 70487032
hydron;methyl(pyridin-2-ylmethylidene)azanium
CID 101117397
2-ethenylpyridine;molecular iodine
CID 56841465
formaldehyde;pyridine-2-carbaldehyde
CID 161262172
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 162666040
nickel;pyridin-2-ylmethanimine
CID 87871752

Frequently Asked Questions

What is the IUPAC name of CID 59444659?
The IUPAC name of CID 59444659 (CID 59444659) is not available.
What is the SMILES notation for CID 59444659?
The canonical SMILES for CID 59444659 is [CH]([N-][CH]c1ccccn1)c1ccccn1.[CH]([N-][CH]c1ccccn1)c1ccccn1.[Cr+2].
What is the InChIKey of CID 59444659?
The InChIKey is BTKPFQQCLFYGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10N3.Cr/c2*1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;/h2*1-10H;/q2*-1;+2.
What are the key properties of CID 59444659?
CID 59444659 has a molecular weight of 444.46 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59444659 is sourced from PubChem (CID 59444659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).