CID 162252105

C7H10BN — CID 162252105

IUPAC—
SMILESCN.[B]c1ccccc1
InChIInChI=1S/C6H5B.CH5N/c7-6-4-2-1-3-5-6;1-2/h1-5H;2H2,1H3
InChIKeyHDKSVWPKXLNFRL-UHFFFAOYSA-N
MW118.98 g/mol
LogP0.06
Rot. Bonds

About CID 162252105

CID 162252105 (PubChem CID 162252105) has the molecular formula C7H10BN and a molecular weight of 118.98 g/mol.

Molecular Properties

Compound NameCID 162252105
PubChem CID162252105
Molecular FormulaC7H10BN
Molecular Weight118.98 g/mol
Exact Mass119.09
IUPAC Name—
SMILESCN.[B]c1ccccc1
InChIInChI=1S/C6H5B.CH5N/c7-6-4-2-1-3-5-6;1-2/h1-5H;2H2,1H3
InChIKeyHDKSVWPKXLNFRL-UHFFFAOYSA-N
XLogP0.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.98
LogP ≤ 50.06
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 162252105?
The IUPAC name of CID 162252105 (CID 162252105) is not available.
What is the SMILES notation for CID 162252105?
The canonical SMILES for CID 162252105 is CN.[B]c1ccccc1.
What is the InChIKey of CID 162252105?
The InChIKey is HDKSVWPKXLNFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5B.CH5N/c7-6-4-2-1-3-5-6;1-2/h1-5H;2H2,1H3.
What are the key properties of CID 162252105?
CID 162252105 has a molecular weight of 118.98 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162252105 is sourced from PubChem (CID 162252105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).