5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid

C17H11F2NO3 — CID 142907385

IUPAC5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
SMILESO=C(O)c1cc(F)ccc1COc1cc(F)nc2ccccc12
InChIInChI=1S/C17H11F2NO3/c18-11-6-5-10(13(7-11)17(21)22)9-23-15-8-16(19)20-14-4-2-1-3-12(14)15/h1-8H,9H2,(H,21,22)
InChIKeyKRQYSQAIGDXDKJ-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.79
Rot. Bonds4

About 5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid

5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid (PubChem CID 142907385) has the molecular formula C17H11F2NO3 and a molecular weight of 315.28 g/mol. Its IUPAC name is 5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
PubChem CID142907385
Molecular FormulaC17H11F2NO3
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
SMILESO=C(O)c1cc(F)ccc1COc1cc(F)nc2ccccc12
InChIInChI=1S/C17H11F2NO3/c18-11-6-5-10(13(7-11)17(21)22)9-23-15-8-16(19)20-14-4-2-1-3-12(14)15/h1-8H,9H2,(H,21,22)
InChIKeyKRQYSQAIGDXDKJ-UHFFFAOYSA-N
XLogP3.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907394
methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate
CID 53112967
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
CID 117221103
2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
CID 42597518
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221035
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
CID 59551815

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid?
The IUPAC name of 5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid (CID 142907385) is 5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid is O=C(O)c1cc(F)ccc1COc1cc(F)nc2ccccc12.
What is the InChIKey of 5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid?
The InChIKey is KRQYSQAIGDXDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO3/c18-11-6-5-10(13(7-11)17(21)22)9-23-15-8-16(19)20-14-4-2-1-3-12(14)15/h1-8H,9H2,(H,21,22).
What are the key properties of 5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid?
5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid has a molecular weight of 315.28 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid is sourced from PubChem (CID 142907385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).