CID 155748395

C8H10BNO — CID 155748395

IUPAC—
SMILES[B]CC(O)c1ncccc1C
InChIInChI=1S/C8H10BNO/c1-6-3-2-4-10-8(6)7(11)5-9/h2-4,7,11H,5H2,1H3
InChIKeyUBYKFYLWMCZREQ-UHFFFAOYSA-N
MW146.99 g/mol
LogP1.01
Rot. Bonds2

About CID 155748395

CID 155748395 (PubChem CID 155748395) has the molecular formula C8H10BNO and a molecular weight of 146.99 g/mol.

Molecular Properties

Compound NameCID 155748395
PubChem CID155748395
Molecular FormulaC8H10BNO
Molecular Weight146.99 g/mol
Exact Mass147.09
IUPAC Name—
SMILES[B]CC(O)c1ncccc1C
InChIInChI=1S/C8H10BNO/c1-6-3-2-4-10-8(6)7(11)5-9/h2-4,7,11H,5H2,1H3
InChIKeyUBYKFYLWMCZREQ-UHFFFAOYSA-N
XLogP1.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.99
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 155748395 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

(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol
CID 155163970
3-methoxy-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 114997246
2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanol
CID 64904867
2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol
CID 105110557
2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
2-methyl-1-(3-methyl-2-pyridinyl)pentan-1-ol
CID 107892875
1-(3-methyl-2-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771004
3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 103008060
2-(3-bromo-5-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79701389
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79820653

Frequently Asked Questions

What is the IUPAC name of CID 155748395?
The IUPAC name of CID 155748395 (CID 155748395) is not available.
What is the SMILES notation for CID 155748395?
The canonical SMILES for CID 155748395 is [B]CC(O)c1ncccc1C.
What is the InChIKey of CID 155748395?
The InChIKey is UBYKFYLWMCZREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO/c1-6-3-2-4-10-8(6)7(11)5-9/h2-4,7,11H,5H2,1H3.
What are the key properties of CID 155748395?
CID 155748395 has a molecular weight of 146.99 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155748395 is sourced from PubChem (CID 155748395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).