CID 89241370

C8H8BNO — CID 89241370

IUPAC—
SMILES[B]c1ccc(C(=O)CC)nc1
InChIInChI=1S/C8H8BNO/c1-2-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChIKeyCDLVAEGIJZRIHE-UHFFFAOYSA-N
MW144.97 g/mol
LogP0.47
Rot. Bonds2

About CID 89241370

CID 89241370 (PubChem CID 89241370) has the molecular formula C8H8BNO and a molecular weight of 144.97 g/mol.

Molecular Properties

Compound NameCID 89241370
PubChem CID89241370
Molecular FormulaC8H8BNO
Molecular Weight144.97 g/mol
Exact Mass145.07
IUPAC Name—
SMILES[B]c1ccc(C(=O)CC)nc1
InChIInChI=1S/C8H8BNO/c1-2-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChIKeyCDLVAEGIJZRIHE-UHFFFAOYSA-N
XLogP0.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.97
LogP ≤ 50.47
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

1-(5-methylsulfanyl-2-pyridinyl)propan-1-one
CID 68711933
1-(5-propylsulfanyl-2-pyridinyl)propan-1-one
CID 112583931
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
CID 112583933
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938975
1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
CID 112583858
1-[5-(3-methylbut-3-enoxy)-2-pyridinyl]propan-1-one
CID 114470248
N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
CID 115939141
1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one
CID 112584005
1-[5-(3-hydroxy-2-methylpropyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112584006
1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one
CID 112583735

Frequently Asked Questions

What is the IUPAC name of CID 89241370?
The IUPAC name of CID 89241370 (CID 89241370) is not available.
What is the SMILES notation for CID 89241370?
The canonical SMILES for CID 89241370 is [B]c1ccc(C(=O)CC)nc1.
What is the InChIKey of CID 89241370?
The InChIKey is CDLVAEGIJZRIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BNO/c1-2-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3.
What are the key properties of CID 89241370?
CID 89241370 has a molecular weight of 144.97 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89241370 is sourced from PubChem (CID 89241370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).