3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid

C10H8FN3O3 — CID 82376296

IUPAC3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid
SMILESCOc1c(F)cccc1-c1n[nH]c(C(=O)O)n1
InChIInChI=1S/C10H8FN3O3/c1-17-7-5(3-2-4-6(7)11)8-12-9(10(15)16)14-13-8/h2-4H,1H3,(H,15,16)(H,12,13,14)
InChIKeyJJKMRAVAKKKBFM-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.32
Rot. Bonds3

About 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid

3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid (PubChem CID 82376296) has the molecular formula C10H8FN3O3 and a molecular weight of 237.19 g/mol. Its IUPAC name is 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid
PubChem CID82376296
Molecular FormulaC10H8FN3O3
Molecular Weight237.19 g/mol
Exact Mass237.05
IUPAC Name3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid
SMILESCOc1c(F)cccc1-c1n[nH]c(C(=O)O)n1
InChIInChI=1S/C10H8FN3O3/c1-17-7-5(3-2-4-6(7)11)8-12-9(10(15)16)14-13-8/h2-4H,1H3,(H,15,16)(H,12,13,14)
InChIKeyJJKMRAVAKKKBFM-UHFFFAOYSA-N
XLogP1.32
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid
CID 142711038
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole
CID 130052506
4-(3-fluoro-2-methoxyphenyl)-1H-indazole
CID 167807069
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
2-chloro-4-(3-fluoro-2-methoxyphenyl)pyrimidine
CID 24901962
3-(3-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624435
2-(3-fluoro-2-methoxyphenyl)thiophene
CID 91195833
2-fluoro-N-[3-(3-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163251899
1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 82624860
5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine
CID 96617521

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid?
The IUPAC name of 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid (CID 82376296) is 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid is COc1c(F)cccc1-c1n[nH]c(C(=O)O)n1.
What is the InChIKey of 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid?
The InChIKey is JJKMRAVAKKKBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3/c1-17-7-5(3-2-4-6(7)11)8-12-9(10(15)16)14-13-8/h2-4H,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid?
3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid has a molecular weight of 237.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-methoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid is sourced from PubChem (CID 82376296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).