methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium

C8H6NNiO3Pr2- — CID 20707169

IUPACmethyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium
SMILESCOC(=O)c1ccc([C-]=O)nc1.[Ni].[Pr].[Pr]
InChIInChI=1S/C8H6NO3.Ni.2Pr/c1-12-8(11)6-2-3-7(5-10)9-4-6;;;/h2-4H,1H3;;;/q-1;;;
InChIKeyRGJMUQFKFMVMAA-UHFFFAOYSA-N
MW504.65 g/mol
LogP0.32
Rot. Bonds2

About methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium

methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium (PubChem CID 20707169) has the molecular formula C8H6NNiO3Pr2- and a molecular weight of 504.65 g/mol. Its IUPAC name is methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium.

Molecular Properties

Compound Namemethyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium
PubChem CID20707169
Molecular FormulaC8H6NNiO3Pr2-
Molecular Weight504.65 g/mol
Exact Mass503.79
IUPAC Namemethyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium
SMILESCOC(=O)c1ccc([C-]=O)nc1.[Ni].[Pr].[Pr]
InChIInChI=1S/C8H6NO3.Ni.2Pr/c1-12-8(11)6-2-3-7(5-10)9-4-6;;;/h2-4H,1H3;;;/q-1;;;
InChIKeyRGJMUQFKFMVMAA-UHFFFAOYSA-N
XLogP0.32
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.65
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-(trideuteriomethyl)pyridine-3-carboxylate
CID 59327576
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
CID 146048625
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate
CID 146650272
methyl 6-tert-butylsulfanylpyridine-3-carboxylate
CID 102546899
methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate
CID 131192690

Frequently Asked Questions

What is the IUPAC name of methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium?
The IUPAC name of methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium (CID 20707169) is methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium.
What is the SMILES notation for methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium?
The canonical SMILES for methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium is COC(=O)c1ccc([C-]=O)nc1.[Ni].[Pr].[Pr].
What is the InChIKey of methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium?
The InChIKey is RGJMUQFKFMVMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NO3.Ni.2Pr/c1-12-8(11)6-2-3-7(5-10)9-4-6;;;/h2-4H,1H3;;;/q-1;;;.
What are the key properties of methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium?
methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium has a molecular weight of 504.65 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium is sourced from PubChem (CID 20707169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).