CID 156790925

C10H13B2N3 — CID 156790925

IUPAC—
SMILESCC.[B]C([B])(N)c1cn2ccccc2n1
InChIInChI=1S/C8H7B2N3.C2H6/c9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-2/h1-5H,11H2;1-2H3
InChIKeyQUOBLGDOFGKSBZ-UHFFFAOYSA-N
MW196.86 g/mol
LogP0.77
Rot. Bonds1

About CID 156790925

CID 156790925 (PubChem CID 156790925) has the molecular formula C10H13B2N3 and a molecular weight of 196.86 g/mol.

Molecular Properties

Compound NameCID 156790925
PubChem CID156790925
Molecular FormulaC10H13B2N3
Molecular Weight196.86 g/mol
Exact Mass197.13
IUPAC Name—
SMILESCC.[B]C([B])(N)c1cn2ccccc2n1
InChIInChI=1S/C8H7B2N3.C2H6/c9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-2/h1-5H,11H2;1-2H3
InChIKeyQUOBLGDOFGKSBZ-UHFFFAOYSA-N
XLogP0.77
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.86
LogP ≤ 50.77
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 175624301
CID 175624301
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
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4-(5-imidazo[1,2-a]pyridin-2-yl-2,5-dimethylhexan-2-yl)-1,3-thiazole
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ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
2-fluoroimidazo[1,2-a]pyridine
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CID 7536516
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
N-methylimidazo[1,2-a]pyridin-2-amine
CID 66790990
imidazo[1,2-a]pyridin-2-ylmethylazanium
CID 7012186
(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride
CID 155970924
N-(2-amino-2-ethylbutyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119639792
3-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-amine
CID 83877207

Frequently Asked Questions

What is the IUPAC name of CID 156790925?
The IUPAC name of CID 156790925 (CID 156790925) is not available.
What is the SMILES notation for CID 156790925?
The canonical SMILES for CID 156790925 is CC.[B]C([B])(N)c1cn2ccccc2n1.
What is the InChIKey of CID 156790925?
The InChIKey is QUOBLGDOFGKSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7B2N3.C2H6/c9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;1-2/h1-5H,11H2;1-2H3.
What are the key properties of CID 156790925?
CID 156790925 has a molecular weight of 196.86 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156790925 is sourced from PubChem (CID 156790925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).