molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide

C11H15MoN3O3 — CID 161308535

IUPACmolybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide
SMILESCC(=O)CC(C)=O.NNC(=O)c1ccncc1.[Mo]
InChIInChI=1S/C6H7N3O.C5H8O2.Mo/c7-9-6(10)5-1-3-8-4-2-5;1-4(6)3-5(2)7;/h1-4H,7H2,(H,9,10);3H2,1-2H3;
InChIKeyVIOUBJCMCCHDNP-UHFFFAOYSA-N
MW333.20 g/mol
LogP0.24
Rot. Bonds3

About molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide

molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide (PubChem CID 161308535) has the molecular formula C11H15MoN3O3 and a molecular weight of 333.20 g/mol. Its IUPAC name is molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide.

Molecular Properties

Compound Namemolybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide
PubChem CID161308535
Molecular FormulaC11H15MoN3O3
Molecular Weight333.20 g/mol
Exact Mass335.02
IUPAC Namemolybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide
SMILESCC(=O)CC(C)=O.NNC(=O)c1ccncc1.[Mo]
InChIInChI=1S/C6H7N3O.C5H8O2.Mo/c7-9-6(10)5-1-3-8-4-2-5;1-4(6)3-5(2)7;/h1-4H,7H2,(H,9,10);3H2,1-2H3;
InChIKeyVIOUBJCMCCHDNP-UHFFFAOYSA-N
XLogP0.24
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 69045386
CID 69045386
pyridine-4-carbohydrazide;trihydrate;hydrochloride
CID 67630424
2-hydroxybenzaldehyde;pyridine-4-carbohydrazide
CID 90002677
benzohydrazide;molybdenum
CID 162076561
hydrazinecarboxylic acid;pyridine-4-carboxylic acid
CID 161178249
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
propan-2-one;pyridine-4-carboxamide
CID 174689468
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 54265002
4-oxo-4-pyridin-4-ylbutanehydrazide
CID 173353561
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352

Frequently Asked Questions

What is the IUPAC name of molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide?
The IUPAC name of molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide (CID 161308535) is molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide.
What is the SMILES notation for molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide?
The canonical SMILES for molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide is CC(=O)CC(C)=O.NNC(=O)c1ccncc1.[Mo].
What is the InChIKey of molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide?
The InChIKey is VIOUBJCMCCHDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O.C5H8O2.Mo/c7-9-6(10)5-1-3-8-4-2-5;1-4(6)3-5(2)7;/h1-4H,7H2,(H,9,10);3H2,1-2H3;.
What are the key properties of molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide?
molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide has a molecular weight of 333.20 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide is sourced from PubChem (CID 161308535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).