CID 173387636

CH7BN — CID 173387636

IUPAC—
SMILESCN.[B].[H][H]
InChIInChI=1S/CH5N.B.H2/c1-2;;/h2H2,1H3;;1H
InChIKeyKFXLEGIQCKPWEP-UHFFFAOYSA-N
MW43.89 g/mol
LogP-0.56
Rot. Bonds

About CID 173387636

CID 173387636 (PubChem CID 173387636) has the molecular formula CH7BN and a molecular weight of 43.89 g/mol.

Molecular Properties

Compound NameCID 173387636
PubChem CID173387636
Molecular FormulaCH7BN
Molecular Weight43.89 g/mol
Exact Mass44.07
IUPAC Name—
SMILESCN.[B].[H][H]
InChIInChI=1S/CH5N.B.H2/c1-2;;/h2H2,1H3;;1H
InChIKeyKFXLEGIQCKPWEP-UHFFFAOYSA-N
XLogP-0.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50043.89
LogP ≤ 5-0.56
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 173387636?
The IUPAC name of CID 173387636 (CID 173387636) is not available.
What is the SMILES notation for CID 173387636?
The canonical SMILES for CID 173387636 is CN.[B].[H][H].
What is the InChIKey of CID 173387636?
The InChIKey is KFXLEGIQCKPWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N.B.H2/c1-2;;/h2H2,1H3;;1H.
What are the key properties of CID 173387636?
CID 173387636 has a molecular weight of 43.89 g/mol, XLogP of -0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173387636 is sourced from PubChem (CID 173387636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).