CID 155716847

C7H5BN2 — CID 155716847

IUPAC—
SMILES[B]c1c[nH]c2cnccc12
InChIInChI=1S/C7H5BN2/c8-6-3-10-7-4-9-2-1-5(6)7/h1-4,10H
InChIKeyWSAHXEJHDVFKDM-UHFFFAOYSA-N
MW127.94 g/mol
LogP0.36
Rot. Bonds

About CID 155716847

CID 155716847 (PubChem CID 155716847) has the molecular formula C7H5BN2 and a molecular weight of 127.94 g/mol.

Molecular Properties

Compound NameCID 155716847
PubChem CID155716847
Molecular FormulaC7H5BN2
Molecular Weight127.94 g/mol
Exact Mass128.05
IUPAC Name—
SMILES[B]c1c[nH]c2cnccc12
InChIInChI=1S/C7H5BN2/c8-6-3-10-7-4-9-2-1-5(6)7/h1-4,10H
InChIKeyWSAHXEJHDVFKDM-UHFFFAOYSA-N
XLogP0.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.94
LogP ≤ 50.36
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 155716847?
The IUPAC name of CID 155716847 (CID 155716847) is not available.
What is the SMILES notation for CID 155716847?
The canonical SMILES for CID 155716847 is [B]c1c[nH]c2cnccc12.
What is the InChIKey of CID 155716847?
The InChIKey is WSAHXEJHDVFKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BN2/c8-6-3-10-7-4-9-2-1-5(6)7/h1-4,10H.
What are the key properties of CID 155716847?
CID 155716847 has a molecular weight of 127.94 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155716847 is sourced from PubChem (CID 155716847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).