CID 91275202

C11H11BN2 — CID 91275202

IUPAC—
SMILES[B]c1c(=C)[nH]c2nc(=C(C)C)ccc12
InChIInChI=1S/C11H11BN2/c1-6(2)9-5-4-8-10(12)7(3)13-11(8)14-9/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyQEHDGGCZWDWWJB-UHFFFAOYSA-N
MW182.03 g/mol
LogP-0.04
Rot. Bonds

About CID 91275202

CID 91275202 (PubChem CID 91275202) has the molecular formula C11H11BN2 and a molecular weight of 182.03 g/mol.

Molecular Properties

Compound NameCID 91275202
PubChem CID91275202
Molecular FormulaC11H11BN2
Molecular Weight182.03 g/mol
Exact Mass182.10
IUPAC Name—
SMILES[B]c1c(=C)[nH]c2nc(=C(C)C)ccc12
InChIInChI=1S/C11H11BN2/c1-6(2)9-5-4-8-10(12)7(3)13-11(8)14-9/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyQEHDGGCZWDWWJB-UHFFFAOYSA-N
XLogP-0.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.03
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 91275202?
The IUPAC name of CID 91275202 (CID 91275202) is not available.
What is the SMILES notation for CID 91275202?
The canonical SMILES for CID 91275202 is [B]c1c(=C)[nH]c2nc(=C(C)C)ccc12.
What is the InChIKey of CID 91275202?
The InChIKey is QEHDGGCZWDWWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BN2/c1-6(2)9-5-4-8-10(12)7(3)13-11(8)14-9/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of CID 91275202?
CID 91275202 has a molecular weight of 182.03 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91275202 is sourced from PubChem (CID 91275202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).