cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)

C18H16CoF6N6O2 — CID 50896973

IUPACcobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)
SMILESCC(=NNC(=O)c1ccncc1)C(F)(F)F.CC(=NNC(=O)c1ccncc1)C(F)(F)F.[Co]
InChIInChI=1S/2C9H8F3N3O.Co/c2*1-6(9(10,11)12)14-15-8(16)7-2-4-13-5-3-7;/h2*2-5H,1H3,(H,15,16);
InChIKeyRXQSSYSNXKQVMI-UHFFFAOYSA-N
MW521.29 g/mol
LogP3.50
Rot. Bonds4

About cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)

cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide) (PubChem CID 50896973) has the molecular formula C18H16CoF6N6O2 and a molecular weight of 521.29 g/mol. Its IUPAC name is cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide).

Molecular Properties

Compound Namecobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)
PubChem CID50896973
Molecular FormulaC18H16CoF6N6O2
Molecular Weight521.29 g/mol
Exact Mass521.06
IUPAC Namecobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)
SMILESCC(=NNC(=O)c1ccncc1)C(F)(F)F.CC(=NNC(=O)c1ccncc1)C(F)(F)F.[Co]
InChIInChI=1S/2C9H8F3N3O.Co/c2*1-6(9(10,11)12)14-15-8(16)7-2-4-13-5-3-7;/h2*2-5H,1H3,(H,15,16);
InChIKeyRXQSSYSNXKQVMI-UHFFFAOYSA-N
XLogP3.50
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(Z)-1,1,1-trifluoropropan-2-ylideneamino]benzamide
CID 59956653
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide
CID 3442645
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
N-[(E)-(1-bromo-1,1-difluoropropan-2-ylidene)amino]benzamide
CID 167523986
N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide
CID 84902461
N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide
CID 6391535
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
N-[(E)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 25237502
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 39818795
N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide
CID 571551

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)?
The IUPAC name of cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide) (CID 50896973) is cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide).
What is the SMILES notation for cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)?
The canonical SMILES for cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide) is CC(=NNC(=O)c1ccncc1)C(F)(F)F.CC(=NNC(=O)c1ccncc1)C(F)(F)F.[Co].
What is the InChIKey of cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)?
The InChIKey is RXQSSYSNXKQVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8F3N3O.Co/c2*1-6(9(10,11)12)14-15-8(16)7-2-4-13-5-3-7;/h2*2-5H,1H3,(H,15,16);.
What are the key properties of cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)?
cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide) has a molecular weight of 521.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide) is sourced from PubChem (CID 50896973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).