methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium

C8H6NO3Rf- — CID 59876400

IUPACmethyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium
SMILESCOC(=O)c1[c-]nc(C=O)cc1.[Rf]
InChIInChI=1S/C8H6NO3.Rf/c1-12-8(11)6-2-3-7(5-10)9-4-6;/h2-3,5H,1H3;/q-1;
InChIKeyIKWZKAOKNZZZRB-UHFFFAOYSA-N
MW431.14 g/mol
LogP0.48
Rot. Bonds2

About methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium

methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium (PubChem CID 59876400) has the molecular formula C8H6NO3Rf- and a molecular weight of 431.14 g/mol. Its IUPAC name is methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium.

Molecular Properties

Compound Namemethyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium
PubChem CID59876400
Molecular FormulaC8H6NO3Rf-
Molecular Weight431.14 g/mol
Exact Mass431.16
IUPAC Namemethyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium
SMILESCOC(=O)c1[c-]nc(C=O)cc1.[Rf]
InChIInChI=1S/C8H6NO3.Rf/c1-12-8(11)6-2-3-7(5-10)9-4-6;/h2-3,5H,1H3;/q-1;
InChIKeyIKWZKAOKNZZZRB-UHFFFAOYSA-N
XLogP0.48
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.14
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-methyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium
CID 59876396
methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium
CID 59876406

Frequently Asked Questions

What is the IUPAC name of methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium?
The IUPAC name of methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium (CID 59876400) is methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium.
What is the SMILES notation for methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium?
The canonical SMILES for methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium is COC(=O)c1[c-]nc(C=O)cc1.[Rf].
What is the InChIKey of methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium?
The InChIKey is IKWZKAOKNZZZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NO3.Rf/c1-12-8(11)6-2-3-7(5-10)9-4-6;/h2-3,5H,1H3;/q-1;.
What are the key properties of methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium?
methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium has a molecular weight of 431.14 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-formyl-2H-pyridin-2-ide-3-carboxylate;rutherfordium is sourced from PubChem (CID 59876400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).