CID 89427005

C8H7BN2O — CID 89427005

IUPAC—
SMILES[B]c1ccc2nc(CO)cn2c1
InChIInChI=1S/C8H7BN2O/c9-6-1-2-8-10-7(5-12)4-11(8)3-6/h1-4,12H,5H2
InChIKeyOBQYZQYNADRILM-UHFFFAOYSA-N
MW157.97 g/mol
LogP-0.38
Rot. Bonds1

About CID 89427005

CID 89427005 (PubChem CID 89427005) has the molecular formula C8H7BN2O and a molecular weight of 157.97 g/mol.

Molecular Properties

Compound NameCID 89427005
PubChem CID89427005
Molecular FormulaC8H7BN2O
Molecular Weight157.97 g/mol
Exact Mass158.07
IUPAC Name—
SMILES[B]c1ccc2nc(CO)cn2c1
InChIInChI=1S/C8H7BN2O/c9-6-1-2-8-10-7(5-12)4-11(8)3-6/h1-4,12H,5H2
InChIKeyOBQYZQYNADRILM-UHFFFAOYSA-N
XLogP-0.38
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.97
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 89427005 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

CID 88945552
CID 88945552
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
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-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]boronic acid
CID 170984913
(6-iodoimidazo[1,2-b]pyridazin-2-yl)methanol
CID 57441048
2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 131519071
2-ethyl-6-fluoroimidazo[1,2-a]pyridine
CID 70295654
(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol
CID 117256103
(5-fluoroimidazo[1,2-a]pyridin-2-yl)methanol
CID 53485251
2-imidazo[1,2-c]pyrimidin-2-ylethanol
CID 19735708
3-(6-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 4912874

Frequently Asked Questions

What is the IUPAC name of CID 89427005?
The IUPAC name of CID 89427005 (CID 89427005) is not available.
What is the SMILES notation for CID 89427005?
The canonical SMILES for CID 89427005 is [B]c1ccc2nc(CO)cn2c1.
What is the InChIKey of CID 89427005?
The InChIKey is OBQYZQYNADRILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BN2O/c9-6-1-2-8-10-7(5-12)4-11(8)3-6/h1-4,12H,5H2.
What are the key properties of CID 89427005?
CID 89427005 has a molecular weight of 157.97 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89427005 is sourced from PubChem (CID 89427005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).