5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid

C20H14FN3O4 — CID 134473859

IUPAC5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(F)c(-n2nc3ccccn3c2=O)cc1OCc1ccccc1
InChIInChI=1S/C20H14FN3O4/c21-15-10-14(19(25)26)17(28-12-13-6-2-1-3-7-13)11-16(15)24-20(27)23-9-5-4-8-18(23)22-24/h1-11H,12H2,(H,25,26)
InChIKeyFAGILSNZYMNBFV-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.90
Rot. Bonds5

About 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid

5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid (PubChem CID 134473859) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid
PubChem CID134473859
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(F)c(-n2nc3ccccn3c2=O)cc1OCc1ccccc1
InChIInChI=1S/C20H14FN3O4/c21-15-10-14(19(25)26)17(28-12-13-6-2-1-3-7-13)11-16(15)24-20(27)23-9-5-4-8-18(23)22-24/h1-11H,12H2,(H,25,26)
InChIKeyFAGILSNZYMNBFV-UHFFFAOYSA-N
XLogP2.90
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid with MolForge

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Related Compounds

2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid
CID 106698772
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
benzyl 4-bromo-5-fluoro-2-phenylmethoxybenzoate
CID 122458122
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
3-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-4-fluorobenzoic acid
CID 141051319
4-(3-ethyl-4-methyl-5-oxo-1,2,4-triazol-1-yl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 146483845
2-[4-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-5-oxotetrazol-1-yl]acetonitrile
CID 171984873

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid?
The IUPAC name of 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid (CID 134473859) is 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid?
The canonical SMILES for 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid is O=C(O)c1cc(F)c(-n2nc3ccccn3c2=O)cc1OCc1ccccc1.
What is the InChIKey of 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid?
The InChIKey is FAGILSNZYMNBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c21-15-10-14(19(25)26)17(28-12-13-6-2-1-3-7-13)11-16(15)24-20(27)23-9-5-4-8-18(23)22-24/h1-11H,12H2,(H,25,26).
What are the key properties of 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid?
5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid has a molecular weight of 379.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 134473859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).