CID 174017027

C10H8BN — CID 174017027

IUPAC—
SMILES[B]c1c(N)ccc2ccccc12
InChIInChI=1S/C10H8BN/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6H,12H2
InChIKeyCQDZNNLLRBGWQY-UHFFFAOYSA-N
MW152.99 g/mol
LogP1.22
Rot. Bonds

About CID 174017027

CID 174017027 (PubChem CID 174017027) has the molecular formula C10H8BN and a molecular weight of 152.99 g/mol.

Molecular Properties

Compound NameCID 174017027
PubChem CID174017027
Molecular FormulaC10H8BN
Molecular Weight152.99 g/mol
Exact Mass153.07
IUPAC Name—
SMILES[B]c1c(N)ccc2ccccc12
InChIInChI=1S/C10H8BN/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6H,12H2
InChIKeyCQDZNNLLRBGWQY-UHFFFAOYSA-N
XLogP1.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.99
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174017027?
The IUPAC name of CID 174017027 (CID 174017027) is not available.
What is the SMILES notation for CID 174017027?
The canonical SMILES for CID 174017027 is [B]c1c(N)ccc2ccccc12.
What is the InChIKey of CID 174017027?
The InChIKey is CQDZNNLLRBGWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BN/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6H,12H2.
What are the key properties of CID 174017027?
CID 174017027 has a molecular weight of 152.99 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174017027 is sourced from PubChem (CID 174017027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).