CID 20695325

CH2BNO2 — CID 20695325

IUPAC—
SMILES[B]C[N+](=O)[O-]
InChIInChI=1S/CH2BNO2/c2-1-3(4)5/h1H2
InChIKeyHEYPAKYMBTZBAI-UHFFFAOYSA-N
MW70.84 g/mol
LogP-0.61
Rot. Bonds1

About CID 20695325

CID 20695325 (PubChem CID 20695325) has the molecular formula CH2BNO2 and a molecular weight of 70.84 g/mol.

Molecular Properties

Compound NameCID 20695325
PubChem CID20695325
Molecular FormulaCH2BNO2
Molecular Weight70.84 g/mol
Exact Mass71.02
IUPAC Name—
SMILES[B]C[N+](=O)[O-]
InChIInChI=1S/CH2BNO2/c2-1-3(4)5/h1H2
InChIKeyHEYPAKYMBTZBAI-UHFFFAOYSA-N
XLogP-0.61
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.84
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 174857565
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niobium(3+) trinitrate
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CID 26053
tetrakis(lanthanum(3+));trinitrate
CID 19804472
platinum pentanitrate
CID 173027999
europium(3+) trinitrate
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Frequently Asked Questions

What is the IUPAC name of CID 20695325?
The IUPAC name of CID 20695325 (CID 20695325) is not available.
What is the SMILES notation for CID 20695325?
The canonical SMILES for CID 20695325 is [B]C[N+](=O)[O-].
What is the InChIKey of CID 20695325?
The InChIKey is HEYPAKYMBTZBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2BNO2/c2-1-3(4)5/h1H2.
What are the key properties of CID 20695325?
CID 20695325 has a molecular weight of 70.84 g/mol, XLogP of -0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20695325 is sourced from PubChem (CID 20695325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).