methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium

C8H8NO2Rf- — CID 59876406

IUPACmethyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium
SMILESCOC(=O)c1[c-]cc(C)nc1.[Rf]
InChIInChI=1S/C8H8NO2.Rf/c1-6-3-4-7(5-9-6)8(10)11-2;/h3,5H,1-2H3;/q-1;
InChIKeyIWUQQDXODIJWBR-UHFFFAOYSA-N
MW417.16 g/mol
LogP0.98
Rot. Bonds1

About methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium

methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium (PubChem CID 59876406) has the molecular formula C8H8NO2Rf- and a molecular weight of 417.16 g/mol. Its IUPAC name is methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium.

Molecular Properties

Compound Namemethyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium
PubChem CID59876406
Molecular FormulaC8H8NO2Rf-
Molecular Weight417.16 g/mol
Exact Mass417.18
IUPAC Namemethyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium
SMILESCOC(=O)c1[c-]cc(C)nc1.[Rf]
InChIInChI=1S/C8H8NO2.Rf/c1-6-3-4-7(5-9-6)8(10)11-2;/h3,5H,1-2H3;/q-1;
InChIKeyIWUQQDXODIJWBR-UHFFFAOYSA-N
XLogP0.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.16
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium 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 2-methoxy-3H-azepine-6-carboxylate
CID 13225919
methyl (E)-3-[(2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-enoate
CID 134893185
ethyl 2H-pyridin-2-ide-5-carboxylate;tungsten
CID 57855547
methyl 6-methyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium
CID 59876396
methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium
CID 59876400
methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium
CID 59876413
methyl (Z)-2-methylidene-4-(propan-2-ylideneamino)pent-3-enoate
CID 90691877
Methyl 2-[(methylideneamino)methylidene]pent-3-enoate
CID 123258767
Methyl 1-benzazocine-5-carboxylate
CID 154340500
chlorozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate
CID 156248083
methyl 2H-pyridin-2-ide-5-carboxylate;yttrium
CID 167711301
cadmium;methyl 2-cyano-3H-pyridin-3-ide-5-carboxylate
CID 172341858

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium?
The IUPAC name of methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium (CID 59876406) is methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium.
What is the SMILES notation for methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium?
The canonical SMILES for methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium is COC(=O)c1[c-]cc(C)nc1.[Rf].
What is the InChIKey of methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium?
The InChIKey is IWUQQDXODIJWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO2.Rf/c1-6-3-4-7(5-9-6)8(10)11-2;/h3,5H,1-2H3;/q-1;.
What are the key properties of methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium?
methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium has a molecular weight of 417.16 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium is sourced from PubChem (CID 59876406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).