CID 88945552

C9H9BN2O — CID 88945552

IUPAC—
SMILES[B]c1ccc2nc(CCO)cn2c1
InChIInChI=1S/C9H9BN2O/c10-7-1-2-9-11-8(3-4-13)6-12(9)5-7/h1-2,5-6,13H,3-4H2
InChIKeyWRSWWRDESOIGDP-UHFFFAOYSA-N
MW172.00 g/mol
LogP-0.34
Rot. Bonds2

About CID 88945552

CID 88945552 (PubChem CID 88945552) has the molecular formula C9H9BN2O and a molecular weight of 172.00 g/mol.

Molecular Properties

Compound NameCID 88945552
PubChem CID88945552
Molecular FormulaC9H9BN2O
Molecular Weight172.00 g/mol
Exact Mass172.08
IUPAC Name—
SMILES[B]c1ccc2nc(CCO)cn2c1
InChIInChI=1S/C9H9BN2O/c10-7-1-2-9-11-8(3-4-13)6-12(9)5-7/h1-2,5-6,13H,3-4H2
InChIKeyWRSWWRDESOIGDP-UHFFFAOYSA-N
XLogP-0.34
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.00
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 89427005
CID 89427005
2-(2-hydroxyethyl)imidazo[1,2-a]pyridin-6-ol
CID 115015092
2-(6-methoxyimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115018984
2-imidazo[1,2-c]pyrimidin-2-ylethanol
CID 19735708
3-(6-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 4912874
2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117130963
2-(2-aminoethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82372253
2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 131519071
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63310199
2-(8-bromoimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115044020
6-bromo-2-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine
CID 117130894
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pentan-1-ol
CID 107303015

Frequently Asked Questions

What is the IUPAC name of CID 88945552?
The IUPAC name of CID 88945552 (CID 88945552) is not available.
What is the SMILES notation for CID 88945552?
The canonical SMILES for CID 88945552 is [B]c1ccc2nc(CCO)cn2c1.
What is the InChIKey of CID 88945552?
The InChIKey is WRSWWRDESOIGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BN2O/c10-7-1-2-9-11-8(3-4-13)6-12(9)5-7/h1-2,5-6,13H,3-4H2.
What are the key properties of CID 88945552?
CID 88945552 has a molecular weight of 172.00 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88945552 is sourced from PubChem (CID 88945552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).