CID 169265350

C10H9BN2 — CID 169265350

IUPAC—
SMILES[B]c1cncc(/C(=N/C)C2=CC2)c1
InChIInChI=1S/C10H9BN2/c1-12-10(7-2-3-7)8-4-9(11)6-13-5-8/h2,4-6H,3H2,1H3/b12-10+
InChIKeyMUKIFSJOHYXYDZ-ZRDIBKRKSA-N
MW168.01 g/mol
LogP0.62
Rot. Bonds2

About CID 169265350

CID 169265350 (PubChem CID 169265350) has the molecular formula C10H9BN2 and a molecular weight of 168.01 g/mol.

Molecular Properties

Compound NameCID 169265350
PubChem CID169265350
Molecular FormulaC10H9BN2
Molecular Weight168.01 g/mol
Exact Mass168.09
IUPAC Name—
SMILES[B]c1cncc(/C(=N/C)C2=CC2)c1
InChIInChI=1S/C10H9BN2/c1-12-10(7-2-3-7)8-4-9(11)6-13-5-8/h2,4-6H,3H2,1H3/b12-10+
InChIKeyMUKIFSJOHYXYDZ-ZRDIBKRKSA-N
XLogP0.62
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.01
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 169265350 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 87517130
CID 87517130
CID 90084192
CID 90084192
CID 172593704
CID 172593704
2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
CID 59440305
N'-amino-5-methylpyridine-3-carboximidamide
CID 77072547
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
pyridine-3,5-dicarbonyl bromide
CID 139466513
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
(3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride
CID 87664008
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025

Frequently Asked Questions

What is the IUPAC name of CID 169265350?
The IUPAC name of CID 169265350 (CID 169265350) is not available.
What is the SMILES notation for CID 169265350?
The canonical SMILES for CID 169265350 is [B]c1cncc(/C(=N/C)C2=CC2)c1.
What is the InChIKey of CID 169265350?
The InChIKey is MUKIFSJOHYXYDZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H9BN2/c1-12-10(7-2-3-7)8-4-9(11)6-13-5-8/h2,4-6H,3H2,1H3/b12-10+.
What are the key properties of CID 169265350?
CID 169265350 has a molecular weight of 168.01 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169265350 is sourced from PubChem (CID 169265350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).