(3-aminobiphenylen-2-yl) formate

C13H9NO2 — CID 91872075

IUPAC(3-aminobiphenylen-2-yl) formate
SMILESNc1cc2c(cc1OC=O)-c1ccccc1-2
InChIInChI=1S/C13H9NO2/c14-12-5-10-8-3-1-2-4-9(8)11(10)6-13(12)16-7-15/h1-7H,14H2
InChIKeyRAXSSQHSBBNZAT-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.45
Rot. Bonds2

About (3-aminobiphenylen-2-yl) formate

(3-aminobiphenylen-2-yl) formate (PubChem CID 91872075) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is (3-aminobiphenylen-2-yl) formate.

Molecular Properties

Compound Name(3-aminobiphenylen-2-yl) formate
PubChem CID91872075
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name(3-aminobiphenylen-2-yl) formate
SMILESNc1cc2c(cc1OC=O)-c1ccccc1-2
InChIInChI=1S/C13H9NO2/c14-12-5-10-8-3-1-2-4-9(8)11(10)6-13(12)16-7-15/h1-7H,14H2
InChIKeyRAXSSQHSBBNZAT-UHFFFAOYSA-N
XLogP2.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-aminobiphenylen-2-yl) formate?
The IUPAC name of (3-aminobiphenylen-2-yl) formate (CID 91872075) is (3-aminobiphenylen-2-yl) formate.
What is the SMILES notation for (3-aminobiphenylen-2-yl) formate?
The canonical SMILES for (3-aminobiphenylen-2-yl) formate is Nc1cc2c(cc1OC=O)-c1ccccc1-2.
What is the InChIKey of (3-aminobiphenylen-2-yl) formate?
The InChIKey is RAXSSQHSBBNZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c14-12-5-10-8-3-1-2-4-9(8)11(10)6-13(12)16-7-15/h1-7H,14H2.
What are the key properties of (3-aminobiphenylen-2-yl) formate?
(3-aminobiphenylen-2-yl) formate has a molecular weight of 211.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminobiphenylen-2-yl) formate is sourced from PubChem (CID 91872075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).