CID 88860637

C10H10BN3 — CID 88860637

IUPAC—
SMILES[B]c1ccc(Cc2cnc(N)[nH]2)cc1
InChIInChI=1S/C10H10BN3/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H3,12,13,14)
InChIKeyMNWGBBJGDZAVLM-UHFFFAOYSA-N
MW183.02 g/mol
LogP0.38
Rot. Bonds2

About CID 88860637

CID 88860637 (PubChem CID 88860637) has the molecular formula C10H10BN3 and a molecular weight of 183.02 g/mol.

Molecular Properties

Compound NameCID 88860637
PubChem CID88860637
Molecular FormulaC10H10BN3
Molecular Weight183.02 g/mol
Exact Mass183.10
IUPAC Name—
SMILES[B]c1ccc(Cc2cnc(N)[nH]2)cc1
InChIInChI=1S/C10H10BN3/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H3,12,13,14)
InChIKeyMNWGBBJGDZAVLM-UHFFFAOYSA-N
XLogP0.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.02
LogP ≤ 50.38
H-Bond Donors ≤ 52
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 88860637?
The IUPAC name of CID 88860637 (CID 88860637) is not available.
What is the SMILES notation for CID 88860637?
The canonical SMILES for CID 88860637 is [B]c1ccc(Cc2cnc(N)[nH]2)cc1.
What is the InChIKey of CID 88860637?
The InChIKey is MNWGBBJGDZAVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BN3/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H3,12,13,14).
What are the key properties of CID 88860637?
CID 88860637 has a molecular weight of 183.02 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88860637 is sourced from PubChem (CID 88860637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).