CID 91266138

C8H14BN — CID 91266138

IUPAC—
SMILESCC.[B]C.c1ccncc1
InChIInChI=1S/C5H5N.C2H6.CH3B/c1-2-4-6-5-3-1;2*1-2/h1-5H;1-2H3;1H3
InChIKeyKLCBLAIDHMQQAT-UHFFFAOYSA-N
MW135.02 g/mol
LogP2.31
Rot. Bonds

About CID 91266138

CID 91266138 (PubChem CID 91266138) has the molecular formula C8H14BN and a molecular weight of 135.02 g/mol.

Molecular Properties

Compound NameCID 91266138
PubChem CID91266138
Molecular FormulaC8H14BN
Molecular Weight135.02 g/mol
Exact Mass135.12
IUPAC Name—
SMILESCC.[B]C.c1ccncc1
InChIInChI=1S/C5H5N.C2H6.CH3B/c1-2-4-6-5-3-1;2*1-2/h1-5H;1-2H3;1H3
InChIKeyKLCBLAIDHMQQAT-UHFFFAOYSA-N
XLogP2.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.02
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 91266138 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methane;pyridine
CID 159650211
ethane;methanamine;pyridine
CID 90762425
1,5-diazecine
CID 53440348
pyridine
CID 67755510
pyridine
CID 160878650
ethane;bis(2-methylpropane);bis(pyridine)
CID 161330339
pyridine;titanium
CID 87570870
cobalt(2+);bis(pyridine)
CID 71357223
pyrazine;bis(pyridine)
CID 159366306
cadmium(2+);pyridine;chloride
CID 21144711
pyridine bromide
CID 19422742
iridium(3+);tris(pyridine)
CID 22020171

Frequently Asked Questions

What is the IUPAC name of CID 91266138?
The IUPAC name of CID 91266138 (CID 91266138) is not available.
What is the SMILES notation for CID 91266138?
The canonical SMILES for CID 91266138 is CC.[B]C.c1ccncc1.
What is the InChIKey of CID 91266138?
The InChIKey is KLCBLAIDHMQQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C2H6.CH3B/c1-2-4-6-5-3-1;2*1-2/h1-5H;1-2H3;1H3.
What are the key properties of CID 91266138?
CID 91266138 has a molecular weight of 135.02 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91266138 is sourced from PubChem (CID 91266138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).