2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid

C10H8FN3O2 — CID 67982568

IUPAC2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid
SMILESCc1ccc(-n2nccn2)c(C(=O)O)c1F
InChIInChI=1S/C10H8FN3O2/c1-6-2-3-7(14-12-4-5-13-14)8(9(6)11)10(15)16/h2-5H,1H3,(H,15,16)
InChIKeyCXYWXLUYCHDQCN-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.41
Rot. Bonds2

About 2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid

2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid (PubChem CID 67982568) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid
PubChem CID67982568
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid
SMILESCc1ccc(-n2nccn2)c(C(=O)O)c1F
InChIInChI=1S/C10H8FN3O2/c1-6-2-3-7(14-12-4-5-13-14)8(9(6)11)10(15)16/h2-5H,1H3,(H,15,16)
InChIKeyCXYWXLUYCHDQCN-UHFFFAOYSA-N
XLogP1.41
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid
CID 53260165
2-(2H-1,2,3-Triazol-2-yl)benzoic acid
CID 21313592
2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid
CID 67086627
2-(2H-1,2,3-triazol-2-yl)-4-(trifluoromethyl)benzoic acid
CID 101043235
3-Fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid
CID 67086549
4-fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid
CID 67086886
5-fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid
CID 67086948
3-fluoro-2-(1H-1,2,3-triazol-1-yl)benzoic acid
CID 67087111
4,5-Difluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid
CID 67116235
2-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)benzoic acid
CID 67982177
5-fluoro-2-(1H-1,2,3-triazol-1-yl)benzoic acid
CID 84015330
2-Fluoro-6-(triazol-1-yl)benzoic acid
CID 84674819

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid?
The IUPAC name of 2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid (CID 67982568) is 2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid?
The canonical SMILES for 2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid is Cc1ccc(-n2nccn2)c(C(=O)O)c1F.
What is the InChIKey of 2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid?
The InChIKey is CXYWXLUYCHDQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-6-2-3-7(14-12-4-5-13-14)8(9(6)11)10(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid?
2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid has a molecular weight of 221.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-6-(triazol-2-yl)benzoic acid is sourced from PubChem (CID 67982568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).