CID 159103902

C6H9BNO3 — CID 159103902

IUPAC—
SMILESCOc1ccncc1.O[B]O
InChIInChI=1S/C6H7NO.BH2O2/c1-8-6-2-4-7-5-3-6;2-1-3/h2-5H,1H3;2-3H
InChIKeyWYBIYXLZGNDRTH-UHFFFAOYSA-N
MW153.95 g/mol
LogP-0.40
Rot. Bonds1

About CID 159103902

CID 159103902 (PubChem CID 159103902) has the molecular formula C6H9BNO3 and a molecular weight of 153.95 g/mol.

Molecular Properties

Compound NameCID 159103902
PubChem CID159103902
Molecular FormulaC6H9BNO3
Molecular Weight153.95 g/mol
Exact Mass154.07
IUPAC Name—
SMILESCOc1ccncc1.O[B]O
InChIInChI=1S/C6H7NO.BH2O2/c1-8-6-2-4-7-5-3-6;2-1-3/h2-5H,1H3;2-3H
InChIKeyWYBIYXLZGNDRTH-UHFFFAOYSA-N
XLogP-0.40
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.95
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 159103902 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

4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
iodobenzene;4-methoxypyridine
CID 142130779
4-(3,5-dimethoxyphenoxy)pyridine
CID 90751053
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
4-[2-(4-methoxyphenyl)ethynyl]pyridine
CID 4595253
1-(4-methoxyphenyl)-3-pyridin-4-ylthiourea
CID 12969522
N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine
CID 161458787
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
4-methoxybenzoic acid;pyridine
CID 174860408
2-bromo-2-(4-methoxyphenyl)-2-pyridin-4-ylacetaldehyde
CID 88698167
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325

Frequently Asked Questions

What is the IUPAC name of CID 159103902?
The IUPAC name of CID 159103902 (CID 159103902) is not available.
What is the SMILES notation for CID 159103902?
The canonical SMILES for CID 159103902 is COc1ccncc1.O[B]O.
What is the InChIKey of CID 159103902?
The InChIKey is WYBIYXLZGNDRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.BH2O2/c1-8-6-2-4-7-5-3-6;2-1-3/h2-5H,1H3;2-3H.
What are the key properties of CID 159103902?
CID 159103902 has a molecular weight of 153.95 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159103902 is sourced from PubChem (CID 159103902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).