CID 89210421

C10H8BN — CID 89210421

IUPAC—
SMILES[B]Cc1ccc2ccccc2n1
InChIInChI=1S/C10H8BN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
InChIKeyOCGUZUCSEOIXLI-UHFFFAOYSA-N
MW152.99 g/mol
LogP1.90
Rot. Bonds1

About CID 89210421

CID 89210421 (PubChem CID 89210421) has the molecular formula C10H8BN and a molecular weight of 152.99 g/mol.

Molecular Properties

Compound NameCID 89210421
PubChem CID89210421
Molecular FormulaC10H8BN
Molecular Weight152.99 g/mol
Exact Mass153.07
IUPAC Name—
SMILES[B]Cc1ccc2ccccc2n1
InChIInChI=1S/C10H8BN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
InChIKeyOCGUZUCSEOIXLI-UHFFFAOYSA-N
XLogP1.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.99
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(iodomethyl)quinoline
CID 19432604
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
quinolin-2-ylmethanesulfonamide
CID 43164320
2-(methylsulfonylmethyl)quinoline
CID 14901365
2-(2-methoxyethyl)quinoline
CID 129321824
O-(2-quinolin-2-ylethyl)hydroxylamine
CID 119091598
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
3-methyl-4-quinolin-2-ylbutan-1-amine
CID 81014327
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195

Frequently Asked Questions

What is the IUPAC name of CID 89210421?
The IUPAC name of CID 89210421 (CID 89210421) is not available.
What is the SMILES notation for CID 89210421?
The canonical SMILES for CID 89210421 is [B]Cc1ccc2ccccc2n1.
What is the InChIKey of CID 89210421?
The InChIKey is OCGUZUCSEOIXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2.
What are the key properties of CID 89210421?
CID 89210421 has a molecular weight of 152.99 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89210421 is sourced from PubChem (CID 89210421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).