CID 89022273

C10H10BNO3 — CID 89022273

IUPAC—
SMILES[B]Cc1c(N=O)cccc1C(=O)OCC
InChIInChI=1S/C10H10BNO3/c1-2-15-10(13)7-4-3-5-9(12-14)8(7)6-11/h3-5H,2,6H2,1H3
InChIKeyBFXHXRKSVXGWGU-UHFFFAOYSA-N
MW203.01 g/mol
LogP1.93
Rot. Bonds4

About CID 89022273

CID 89022273 (PubChem CID 89022273) has the molecular formula C10H10BNO3 and a molecular weight of 203.01 g/mol.

Molecular Properties

Compound NameCID 89022273
PubChem CID89022273
Molecular FormulaC10H10BNO3
Molecular Weight203.01 g/mol
Exact Mass203.08
IUPAC Name—
SMILES[B]Cc1c(N=O)cccc1C(=O)OCC
InChIInChI=1S/C10H10BNO3/c1-2-15-10(13)7-4-3-5-9(12-14)8(7)6-11/h3-5H,2,6H2,1H3
InChIKeyBFXHXRKSVXGWGU-UHFFFAOYSA-N
XLogP1.93
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.01
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89022273?
The IUPAC name of CID 89022273 (CID 89022273) is not available.
What is the SMILES notation for CID 89022273?
The canonical SMILES for CID 89022273 is [B]Cc1c(N=O)cccc1C(=O)OCC.
What is the InChIKey of CID 89022273?
The InChIKey is BFXHXRKSVXGWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BNO3/c1-2-15-10(13)7-4-3-5-9(12-14)8(7)6-11/h3-5H,2,6H2,1H3.
What are the key properties of CID 89022273?
CID 89022273 has a molecular weight of 203.01 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89022273 is sourced from PubChem (CID 89022273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).