CID 90229039

C10H11BN2 — CID 90229039

IUPAC—
SMILES[B]c1cccc2cn(C(C)C)nc12
InChIInChI=1S/C10H11BN2/c1-7(2)13-6-8-4-3-5-9(11)10(8)12-13/h3-7H,1-2H3
InChIKeyKDJRWCKAIKNKKM-UHFFFAOYSA-N
MW170.02 g/mol
LogP1.41
Rot. Bonds1

About CID 90229039

CID 90229039 (PubChem CID 90229039) has the molecular formula C10H11BN2 and a molecular weight of 170.02 g/mol.

Molecular Properties

Compound NameCID 90229039
PubChem CID90229039
Molecular FormulaC10H11BN2
Molecular Weight170.02 g/mol
Exact Mass170.10
IUPAC Name—
SMILES[B]c1cccc2cn(C(C)C)nc12
InChIInChI=1S/C10H11BN2/c1-7(2)13-6-8-4-3-5-9(11)10(8)12-13/h3-7H,1-2H3
InChIKeyKDJRWCKAIKNKKM-UHFFFAOYSA-N
XLogP1.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.02
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 90229039?
The IUPAC name of CID 90229039 (CID 90229039) is not available.
What is the SMILES notation for CID 90229039?
The canonical SMILES for CID 90229039 is [B]c1cccc2cn(C(C)C)nc12.
What is the InChIKey of CID 90229039?
The InChIKey is KDJRWCKAIKNKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN2/c1-7(2)13-6-8-4-3-5-9(11)10(8)12-13/h3-7H,1-2H3.
What are the key properties of CID 90229039?
CID 90229039 has a molecular weight of 170.02 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90229039 is sourced from PubChem (CID 90229039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).