CID 157410638

C10H14BIN2 — CID 157410638

IUPAC—
SMILESCC(C)c1ccc2nc[nH]c2c1.[B]I.[H][H]
InChIInChI=1S/C10H12N2.BI.H2/c1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-2;/h3-7H,1-2H3,(H,11,12);;1H
InChIKeyHYOPSEGTPAUNNS-UHFFFAOYSA-N
MW299.95 g/mol
LogP3.44
Rot. Bonds1

About CID 157410638

CID 157410638 (PubChem CID 157410638) has the molecular formula C10H14BIN2 and a molecular weight of 299.95 g/mol.

Molecular Properties

Compound NameCID 157410638
PubChem CID157410638
Molecular FormulaC10H14BIN2
Molecular Weight299.95 g/mol
Exact Mass300.03
IUPAC Name—
SMILESCC(C)c1ccc2nc[nH]c2c1.[B]I.[H][H]
InChIInChI=1S/C10H12N2.BI.H2/c1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-2;/h3-7H,1-2H3,(H,11,12);;1H
InChIKeyHYOPSEGTPAUNNS-UHFFFAOYSA-N
XLogP3.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.95
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 157410638?
The IUPAC name of CID 157410638 (CID 157410638) is not available.
What is the SMILES notation for CID 157410638?
The canonical SMILES for CID 157410638 is CC(C)c1ccc2nc[nH]c2c1.[B]I.[H][H].
What is the InChIKey of CID 157410638?
The InChIKey is HYOPSEGTPAUNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.BI.H2/c1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-2;/h3-7H,1-2H3,(H,11,12);;1H.
What are the key properties of CID 157410638?
CID 157410638 has a molecular weight of 299.95 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157410638 is sourced from PubChem (CID 157410638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).