CID 142582492

C5H7BN2 — CID 142582492

IUPAC—
SMILES[B]c1c(C)cnn1C
InChIInChI=1S/C5H7BN2/c1-4-3-7-8(2)5(4)6/h3H,1-2H3
InChIKeyJIXXWWVOTVAZPO-UHFFFAOYSA-N
MW105.94 g/mol
LogP-0.48
Rot. Bonds

About CID 142582492

CID 142582492 (PubChem CID 142582492) has the molecular formula C5H7BN2 and a molecular weight of 105.94 g/mol.

Molecular Properties

Compound NameCID 142582492
PubChem CID142582492
Molecular FormulaC5H7BN2
Molecular Weight105.94 g/mol
Exact Mass106.07
IUPAC Name—
SMILES[B]c1c(C)cnn1C
InChIInChI=1S/C5H7BN2/c1-4-3-7-8(2)5(4)6/h3H,1-2H3
InChIKeyJIXXWWVOTVAZPO-UHFFFAOYSA-N
XLogP-0.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.94
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 142582492?
The IUPAC name of CID 142582492 (CID 142582492) is not available.
What is the SMILES notation for CID 142582492?
The canonical SMILES for CID 142582492 is [B]c1c(C)cnn1C.
What is the InChIKey of CID 142582492?
The InChIKey is JIXXWWVOTVAZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BN2/c1-4-3-7-8(2)5(4)6/h3H,1-2H3.
What are the key properties of CID 142582492?
CID 142582492 has a molecular weight of 105.94 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142582492 is sourced from PubChem (CID 142582492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).