CID 175321967

C13H10BN — CID 175321967

IUPAC—
SMILES[B]C1c2ccccc2Nc2ccccc21
InChIInChI=1S/C13H10BN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13,15H
InChIKeyOYYBVIJPOMWQIT-UHFFFAOYSA-N
MW191.04 g/mol
LogP3.00
Rot. Bonds

About CID 175321967

CID 175321967 (PubChem CID 175321967) has the molecular formula C13H10BN and a molecular weight of 191.04 g/mol.

Molecular Properties

Compound NameCID 175321967
PubChem CID175321967
Molecular FormulaC13H10BN
Molecular Weight191.04 g/mol
Exact Mass191.09
IUPAC Name—
SMILES[B]C1c2ccccc2Nc2ccccc21
InChIInChI=1S/C13H10BN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13,15H
InChIKeyOYYBVIJPOMWQIT-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.04
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 175321967?
The IUPAC name of CID 175321967 (CID 175321967) is not available.
What is the SMILES notation for CID 175321967?
The canonical SMILES for CID 175321967 is [B]C1c2ccccc2Nc2ccccc21.
What is the InChIKey of CID 175321967?
The InChIKey is OYYBVIJPOMWQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13,15H.
What are the key properties of CID 175321967?
CID 175321967 has a molecular weight of 191.04 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175321967 is sourced from PubChem (CID 175321967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).