CID 140752568

C6H3BFNO2 — CID 140752568

IUPAC—
SMILES[B]OC(=O)c1ncccc1F
InChIInChI=1S/C6H3BFNO2/c7-11-6(10)5-4(8)2-1-3-9-5/h1-3H
InChIKeyTXTGFEFHPACACM-UHFFFAOYSA-N
MW150.90 g/mol
LogP0.46
Rot. Bonds1

About CID 140752568

CID 140752568 (PubChem CID 140752568) has the molecular formula C6H3BFNO2 and a molecular weight of 150.90 g/mol.

Molecular Properties

Compound NameCID 140752568
PubChem CID140752568
Molecular FormulaC6H3BFNO2
Molecular Weight150.90 g/mol
Exact Mass151.02
IUPAC Name—
SMILES[B]OC(=O)c1ncccc1F
InChIInChI=1S/C6H3BFNO2/c7-11-6(10)5-4(8)2-1-3-9-5/h1-3H
InChIKeyTXTGFEFHPACACM-UHFFFAOYSA-N
XLogP0.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.90
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate
CID 154824707
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
(3-fluoro-2-pyridinyl) acetate
CID 15091012
(2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione
CID 90276186
2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione
CID 148826294
(3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone
CID 113404104
(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659417
2-(3-aminooxetan-2-yl)ethyl 3-fluoropyridine-2-carboxylate
CID 130269942
(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate
CID 167764210
3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
CID 110474902
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 110474765

Frequently Asked Questions

What is the IUPAC name of CID 140752568?
The IUPAC name of CID 140752568 (CID 140752568) is not available.
What is the SMILES notation for CID 140752568?
The canonical SMILES for CID 140752568 is [B]OC(=O)c1ncccc1F.
What is the InChIKey of CID 140752568?
The InChIKey is TXTGFEFHPACACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BFNO2/c7-11-6(10)5-4(8)2-1-3-9-5/h1-3H.
What are the key properties of CID 140752568?
CID 140752568 has a molecular weight of 150.90 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140752568 is sourced from PubChem (CID 140752568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).