cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)

C28H24CoF2N6O4 — CID 135542206

IUPACcobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)
SMILESCOc1ccc(/C=N/N=C(\O)c2ccncc2)cc1F.COc1ccc(/C=N/N=C(\O)c2ccncc2)cc1F.[Co]
InChIInChI=1S/2C14H12FN3O2.Co/c2*1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11;/h2*2-9H,1H3,(H,18,19);/b2*17-9+;
InChIKeyOMDIKENBBMADRN-BCCLQLTPSA-N
MW605.47 g/mol
LogP5.13
Rot. Bonds8

About cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)

cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid) (PubChem CID 135542206) has the molecular formula C28H24CoF2N6O4 and a molecular weight of 605.47 g/mol. Its IUPAC name is cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid).

Molecular Properties

Compound Namecobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)
PubChem CID135542206
Molecular FormulaC28H24CoF2N6O4
Molecular Weight605.47 g/mol
Exact Mass605.12
IUPAC Namecobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)
SMILESCOc1ccc(/C=N/N=C(\O)c2ccncc2)cc1F.COc1ccc(/C=N/N=C(\O)c2ccncc2)cc1F.[Co]
InChIInChI=1S/2C14H12FN3O2.Co/c2*1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11;/h2*2-9H,1H3,(H,18,19);/b2*17-9+;
InChIKeyOMDIKENBBMADRN-BCCLQLTPSA-N
XLogP5.13
TPSA134.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1'-[[4-(3,4-difluorophenoxy)phenyl]methyl]-6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
CID 45487652
2,6-Difluoro-4-[4-(3-methoxyphenyl)-3-pyridinyl]phenol
CID 122186020
2,6-Difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol
CID 122186027
2,6-Difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol
CID 122186030
1,3-Bis[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-diazinane
CID 1040095
[4-(4-Methoxybenzyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
CID 16190837
[4-(4-Methoxybenzyl)-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
CID 16191811
1-[(2-Fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-(4-pyridyl)hexahydropyrimidine
CID 76320775
methyl (NE,4Z)-N-[(3-fluoro-4-methoxy-phenyl)methylene]pyridine-4-carbohydrazonate
CID 9574536
(4-Methoxyphenyl)(phenyl)pyridin-4-ylmethanol
CID 276548
1,1'-Bis(4-methoxyphenyl)-4,4'-bipyridinium
CID 1381384
4-[(E)-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]pyridine
CID 12659152

Frequently Asked Questions

What is the IUPAC name of cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)?
The IUPAC name of cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid) (CID 135542206) is cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid).
What is the SMILES notation for cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)?
The canonical SMILES for cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid) is COc1ccc(/C=N/N=C(\O)c2ccncc2)cc1F.COc1ccc(/C=N/N=C(\O)c2ccncc2)cc1F.[Co].
What is the InChIKey of cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)?
The InChIKey is OMDIKENBBMADRN-BCCLQLTPSA-N. The full InChI is InChI=1S/2C14H12FN3O2.Co/c2*1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11;/h2*2-9H,1H3,(H,18,19);/b2*17-9+;.
What are the key properties of cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)?
cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid) has a molecular weight of 605.47 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid) is sourced from PubChem (CID 135542206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).