3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

C14H10FN3O3 — CID 117257338

IUPAC3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(COc3cccc(F)c3)nnc2c1
InChIInChI=1S/C14H10FN3O3/c15-10-2-1-3-11(7-10)21-8-13-17-16-12-6-9(14(19)20)4-5-18(12)13/h1-7H,8H2,(H,19,20)
InChIKeyUQRQSSXCWYUSSA-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.15
Rot. Bonds4

About 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 117257338) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
PubChem CID117257338
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(COc3cccc(F)c3)nnc2c1
InChIInChI=1S/C14H10FN3O3/c15-10-2-1-3-11(7-10)21-8-13-17-16-12-6-9(14(19)20)4-5-18(12)13/h1-7H,8H2,(H,19,20)
InChIKeyUQRQSSXCWYUSSA-UHFFFAOYSA-N
XLogP2.15
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117257347
methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117257343
3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117257148
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
2-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255822
3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
CID 117215650
methyl 3-[(3-fluorophenoxy)methyl]-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5-carboxylate
CID 42875760
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117256445
3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257007
2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257662
[3-[(3-fluorophenoxy)methyl]-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 42875757

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 117257338) is 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(COc3cccc(F)c3)nnc2c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The InChIKey is UQRQSSXCWYUSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c15-10-2-1-3-11(7-10)21-8-13-17-16-12-6-9(14(19)20)4-5-18(12)13/h1-7H,8H2,(H,19,20).
What are the key properties of 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117257338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).