2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid

C15H14FNO3 — CID 106698358

IUPAC2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(COCCc2ccccn2)cc1F
InChIInChI=1S/C15H14FNO3/c16-14-9-11(4-5-13(14)15(18)19)10-20-8-6-12-3-1-2-7-17-12/h1-5,7,9H,6,8,10H2,(H,18,19)
InChIKeyMGMUHOKRAWOIDZ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.68
Rot. Bonds6

About 2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid

2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid (PubChem CID 106698358) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid
PubChem CID106698358
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(COCCc2ccccn2)cc1F
InChIInChI=1S/C15H14FNO3/c16-14-9-11(4-5-13(14)15(18)19)10-20-8-6-12-3-1-2-7-17-12/h1-5,7,9H,6,8,10H2,(H,18,19)
InChIKeyMGMUHOKRAWOIDZ-UHFFFAOYSA-N
XLogP2.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 29006188
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 107526552
2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
CID 54970606
2-fluoro-4-(pentoxymethyl)benzoic acid
CID 106698387
2-chloro-4-(2-pyridin-2-ylethoxymethyl)pyridine
CID 62471234
2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid
CID 107881120
3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 29006324
2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 106698537
2-pyridin-2-ylethyl 4-amino-2,5-difluorobenzoate
CID 104700397
3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid
CID 43153171
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid?
The IUPAC name of 2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid (CID 106698358) is 2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid is O=C(O)c1ccc(COCCc2ccccn2)cc1F.
What is the InChIKey of 2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid?
The InChIKey is MGMUHOKRAWOIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-14-9-11(4-5-13(14)15(18)19)10-20-8-6-12-3-1-2-7-17-12/h1-5,7,9H,6,8,10H2,(H,18,19).
What are the key properties of 2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid?
2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid has a molecular weight of 275.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid is sourced from PubChem (CID 106698358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).