CID 145487628

C5H6BN2OP — CID 145487628

IUPAC—
SMILES[B]c1cc(=O)cc(NP)[nH]1
InChIInChI=1S/C5H6BN2OP/c6-4-1-3(9)2-5(7-4)8-10/h1-2H,10H2,(H2,7,8,9)
InChIKeyROYSCVURWDYDNX-UHFFFAOYSA-N
MW151.90 g/mol
LogP-0.63
Rot. Bonds1

About CID 145487628

CID 145487628 (PubChem CID 145487628) has the molecular formula C5H6BN2OP and a molecular weight of 151.90 g/mol.

Molecular Properties

Compound NameCID 145487628
PubChem CID145487628
Molecular FormulaC5H6BN2OP
Molecular Weight151.90 g/mol
Exact Mass152.03
IUPAC Name—
SMILES[B]c1cc(=O)cc(NP)[nH]1
InChIInChI=1S/C5H6BN2OP/c6-4-1-3(9)2-5(7-4)8-10/h1-2H,10H2,(H2,7,8,9)
InChIKeyROYSCVURWDYDNX-UHFFFAOYSA-N
XLogP-0.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.90
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 145487628?
The IUPAC name of CID 145487628 (CID 145487628) is not available.
What is the SMILES notation for CID 145487628?
The canonical SMILES for CID 145487628 is [B]c1cc(=O)cc(NP)[nH]1.
What is the InChIKey of CID 145487628?
The InChIKey is ROYSCVURWDYDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BN2OP/c6-4-1-3(9)2-5(7-4)8-10/h1-2H,10H2,(H2,7,8,9).
What are the key properties of CID 145487628?
CID 145487628 has a molecular weight of 151.90 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145487628 is sourced from PubChem (CID 145487628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).