CID 88936748

C10H8BNO — CID 88936748

IUPAC—
SMILES[B]c1ccc(OC)c2cccnc12
InChIInChI=1S/C10H8BNO/c1-13-9-5-4-8(11)10-7(9)3-2-6-12-10/h2-6H,1H3
InChIKeyWHTOUESZQBDXCH-UHFFFAOYSA-N
MW168.99 g/mol
LogP1.04
Rot. Bonds1

About CID 88936748

CID 88936748 (PubChem CID 88936748) has the molecular formula C10H8BNO and a molecular weight of 168.99 g/mol.

Molecular Properties

Compound NameCID 88936748
PubChem CID88936748
Molecular FormulaC10H8BNO
Molecular Weight168.99 g/mol
Exact Mass169.07
IUPAC Name—
SMILES[B]c1ccc(OC)c2cccnc12
InChIInChI=1S/C10H8BNO/c1-13-9-5-4-8(11)10-7(9)3-2-6-12-10/h2-6H,1H3
InChIKeyWHTOUESZQBDXCH-UHFFFAOYSA-N
XLogP1.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1,7-phenanthroline
CID 67576947
8-(chloromethyl)-5-methoxyquinoline
CID 66754973
N-(5-methoxyquinolin-8-yl)formamide
CID 886460
propan-2-yl 5-methoxyquinoline-8-carboxylate
CID 67977903
8-methoxy-N,N-dimethylquinolin-5-amine
CID 67991214
methyl N-(5-methoxyquinolin-8-yl)-N-methylcarbamate
CID 139305519
7-methoxy-8-phenylmethoxyquinoline
CID 67057987
8-methoxyquinoline-5-sulfonyl fluoride
CID 165461293
1-(8-methoxyquinolin-5-yl)-N-methylmethanamine
CID 16640560
methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate
CID 53469334
N-[(8-methoxyquinolin-5-yl)methyl]hydroxylamine
CID 117292523
4-methoxyquinoline-8-carbaldehyde
CID 171397329

Frequently Asked Questions

What is the IUPAC name of CID 88936748?
The IUPAC name of CID 88936748 (CID 88936748) is not available.
What is the SMILES notation for CID 88936748?
The canonical SMILES for CID 88936748 is [B]c1ccc(OC)c2cccnc12.
What is the InChIKey of CID 88936748?
The InChIKey is WHTOUESZQBDXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BNO/c1-13-9-5-4-8(11)10-7(9)3-2-6-12-10/h2-6H,1H3.
What are the key properties of CID 88936748?
CID 88936748 has a molecular weight of 168.99 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88936748 is sourced from PubChem (CID 88936748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).