CID 167540277

C7H9B4N — CID 167540277

IUPAC—
SMILESCCc1ccncc1.[B]B([B])[B]
InChIInChI=1S/C7H9N.B4/c1-2-7-3-5-8-6-4-7;1-4(2)3/h3-6H,2H2,1H3;
InChIKeyZLMSMQPBGFIYQN-UHFFFAOYSA-N
MW150.40 g/mol
LogP0.12
Rot. Bonds1

About CID 167540277

CID 167540277 (PubChem CID 167540277) has the molecular formula C7H9B4N and a molecular weight of 150.40 g/mol.

Molecular Properties

Compound NameCID 167540277
PubChem CID167540277
Molecular FormulaC7H9B4N
Molecular Weight150.40 g/mol
Exact Mass151.11
IUPAC Name—
SMILESCCc1ccncc1.[B]B([B])[B]
InChIInChI=1S/C7H9N.B4/c1-2-7-3-5-8-6-4-7;1-4(2)3/h3-6H,2H2,1H3;
InChIKeyZLMSMQPBGFIYQN-UHFFFAOYSA-N
XLogP0.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.40
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 167540277 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;4-ethylpyridine
CID 142005045
ethane;4-ethylpyridine;methanol
CID 143096814
ethanol;4-ethylpyridine
CID 174816615
octakis(4-ethylpyridine);bis(manganese(2+));tetraisothiocyanate
CID 139147166
4-ethylpyridine;(methoxyamino)oxymethane
CID 174441911
1-chlorotetradecane;4-ethylpyridine
CID 70356859
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
CID 66454835
4-[chloro-(4-ethylphenyl)methyl]pyridine
CID 114996829
ethylbenzene;yttrium
CID 59931165
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012

Frequently Asked Questions

What is the IUPAC name of CID 167540277?
The IUPAC name of CID 167540277 (CID 167540277) is not available.
What is the SMILES notation for CID 167540277?
The canonical SMILES for CID 167540277 is CCc1ccncc1.[B]B([B])[B].
What is the InChIKey of CID 167540277?
The InChIKey is ZLMSMQPBGFIYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.B4/c1-2-7-3-5-8-6-4-7;1-4(2)3/h3-6H,2H2,1H3;.
What are the key properties of CID 167540277?
CID 167540277 has a molecular weight of 150.40 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167540277 is sourced from PubChem (CID 167540277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).