methyl 1,10-phenanthroline-4-carboxylate

C14H10N2O2 — CID 20679670

IUPACmethyl 1,10-phenanthroline-4-carboxylate
SMILESCOC(=O)c1ccnc2c1ccc1cccnc12
InChIInChI=1S/C14H10N2O2/c1-18-14(17)11-6-8-16-13-10(11)5-4-9-3-2-7-15-12(9)13/h2-8H,1H3
InChIKeyGQUJOTWKJQZDQH-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.57
Rot. Bonds1

About methyl 1,10-phenanthroline-4-carboxylate

methyl 1,10-phenanthroline-4-carboxylate (PubChem CID 20679670) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is methyl 1,10-phenanthroline-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,10-phenanthroline-4-carboxylate
PubChem CID20679670
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Namemethyl 1,10-phenanthroline-4-carboxylate
SMILESCOC(=O)c1ccnc2c1ccc1cccnc12
InChIInChI=1S/C14H10N2O2/c1-18-14(17)11-6-8-16-13-10(11)5-4-9-3-2-7-15-12(9)13/h2-8H,1H3
InChIKeyGQUJOTWKJQZDQH-UHFFFAOYSA-N
XLogP2.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1,10-phenanthroline-4-carboxylate?
The IUPAC name of methyl 1,10-phenanthroline-4-carboxylate (CID 20679670) is methyl 1,10-phenanthroline-4-carboxylate.
What is the SMILES notation for methyl 1,10-phenanthroline-4-carboxylate?
The canonical SMILES for methyl 1,10-phenanthroline-4-carboxylate is COC(=O)c1ccnc2c1ccc1cccnc12.
What is the InChIKey of methyl 1,10-phenanthroline-4-carboxylate?
The InChIKey is GQUJOTWKJQZDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-18-14(17)11-6-8-16-13-10(11)5-4-9-3-2-7-15-12(9)13/h2-8H,1H3.
What are the key properties of methyl 1,10-phenanthroline-4-carboxylate?
methyl 1,10-phenanthroline-4-carboxylate has a molecular weight of 238.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,10-phenanthroline-4-carboxylate is sourced from PubChem (CID 20679670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).