2-phenazin-1-ylacetic acid

C14H10N2O2 — CID 14801638

IUPAC2-phenazin-1-ylacetic acid
SMILESO=C(O)Cc1cccc2nc3ccccc3nc12
InChIInChI=1S/C14H10N2O2/c17-13(18)8-9-4-3-7-12-14(9)16-11-6-2-1-5-10(11)15-12/h1-7H,8H2,(H,17,18)
InChIKeyNAFPKPVWDZARKW-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.41
Rot. Bonds2

About 2-phenazin-1-ylacetic acid

2-phenazin-1-ylacetic acid (PubChem CID 14801638) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-phenazin-1-ylacetic acid.

Molecular Properties

Compound Name2-phenazin-1-ylacetic acid
PubChem CID14801638
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-phenazin-1-ylacetic acid
SMILESO=C(O)Cc1cccc2nc3ccccc3nc12
InChIInChI=1S/C14H10N2O2/c17-13(18)8-9-4-3-7-12-14(9)16-11-6-2-1-5-10(11)15-12/h1-7H,8H2,(H,17,18)
InChIKeyNAFPKPVWDZARKW-UHFFFAOYSA-N
XLogP2.41
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenazin-1-ylacetic acid?
The IUPAC name of 2-phenazin-1-ylacetic acid (CID 14801638) is 2-phenazin-1-ylacetic acid.
What is the SMILES notation for 2-phenazin-1-ylacetic acid?
The canonical SMILES for 2-phenazin-1-ylacetic acid is O=C(O)Cc1cccc2nc3ccccc3nc12.
What is the InChIKey of 2-phenazin-1-ylacetic acid?
The InChIKey is NAFPKPVWDZARKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-13(18)8-9-4-3-7-12-14(9)16-11-6-2-1-5-10(11)15-12/h1-7H,8H2,(H,17,18).
What are the key properties of 2-phenazin-1-ylacetic acid?
2-phenazin-1-ylacetic acid has a molecular weight of 238.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenazin-1-ylacetic acid is sourced from PubChem (CID 14801638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).