CID 173485490

C6H10BFN2 — CID 173485490

IUPAC—
SMILES[B]C1CCCN=C1NCF
InChIInChI=1S/C6H10BFN2/c7-5-2-1-3-9-6(5)10-4-8/h5H,1-4H2,(H,9,10)
InChIKeyPAWMKFWBSMVGNO-UHFFFAOYSA-N
MW139.97 g/mol
LogP0.65
Rot. Bonds1

About CID 173485490

CID 173485490 (PubChem CID 173485490) has the molecular formula C6H10BFN2 and a molecular weight of 139.97 g/mol.

Molecular Properties

Compound NameCID 173485490
PubChem CID173485490
Molecular FormulaC6H10BFN2
Molecular Weight139.97 g/mol
Exact Mass140.09
IUPAC Name—
SMILES[B]C1CCCN=C1NCF
InChIInChI=1S/C6H10BFN2/c7-5-2-1-3-9-6(5)10-4-8/h5H,1-4H2,(H,9,10)
InChIKeyPAWMKFWBSMVGNO-UHFFFAOYSA-N
XLogP0.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.97
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173485490?
The IUPAC name of CID 173485490 (CID 173485490) is not available.
What is the SMILES notation for CID 173485490?
The canonical SMILES for CID 173485490 is [B]C1CCCN=C1NCF.
What is the InChIKey of CID 173485490?
The InChIKey is PAWMKFWBSMVGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BFN2/c7-5-2-1-3-9-6(5)10-4-8/h5H,1-4H2,(H,9,10).
What are the key properties of CID 173485490?
CID 173485490 has a molecular weight of 139.97 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173485490 is sourced from PubChem (CID 173485490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).