CID 144826578

C7H4BFO2 — CID 144826578

IUPAC—
SMILES[B]c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C7H4BFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKeyILBXLXLJPFYYOO-UHFFFAOYSA-N
MW149.92 g/mol
LogP0.32
Rot. Bonds1

About CID 144826578

CID 144826578 (PubChem CID 144826578) has the molecular formula C7H4BFO2 and a molecular weight of 149.92 g/mol.

Molecular Properties

Compound NameCID 144826578
PubChem CID144826578
Molecular FormulaC7H4BFO2
Molecular Weight149.92 g/mol
Exact Mass150.03
IUPAC Name—
SMILES[B]c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C7H4BFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKeyILBXLXLJPFYYOO-UHFFFAOYSA-N
XLogP0.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.92
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
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CID 66646410
3-(2,5-dioxopyrrol-1-yl)-5-fluorobenzoic acid
CID 151314115
3-(1,3,2-dioxaborolan-2-yl)-5-fluorobenzoic acid
CID 164890753
5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid
CID 53223804
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
bis(3,5-difluorophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of CID 144826578?
The IUPAC name of CID 144826578 (CID 144826578) is not available.
What is the SMILES notation for CID 144826578?
The canonical SMILES for CID 144826578 is [B]c1cc(F)cc(C(=O)O)c1.
What is the InChIKey of CID 144826578?
The InChIKey is ILBXLXLJPFYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11).
What are the key properties of CID 144826578?
CID 144826578 has a molecular weight of 149.92 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144826578 is sourced from PubChem (CID 144826578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).