2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid

C10H7FN4O2 — CID 74223165

IUPAC2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid
SMILESCc1nnc(-c2ccc(C(=O)O)c(F)c2)nn1
InChIInChI=1S/C10H7FN4O2/c1-5-12-14-9(15-13-5)6-2-3-7(10(16)17)8(11)4-6/h2-4H,1H3,(H,16,17)
InChIKeyCAHVMXMEQQSNAB-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.08
Rot. Bonds2

About 2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid

2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid (PubChem CID 74223165) has the molecular formula C10H7FN4O2 and a molecular weight of 234.19 g/mol. Its IUPAC name is 2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid
PubChem CID74223165
Molecular FormulaC10H7FN4O2
Molecular Weight234.19 g/mol
Exact Mass234.06
IUPAC Name2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid
SMILESCc1nnc(-c2ccc(C(=O)O)c(F)c2)nn1
InChIInChI=1S/C10H7FN4O2/c1-5-12-14-9(15-13-5)6-2-3-7(10(16)17)8(11)4-6/h2-4H,1H3,(H,16,17)
InChIKeyCAHVMXMEQQSNAB-UHFFFAOYSA-N
XLogP1.08
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid?
The IUPAC name of 2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid (CID 74223165) is 2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid is Cc1nnc(-c2ccc(C(=O)O)c(F)c2)nn1.
What is the InChIKey of 2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid?
The InChIKey is CAHVMXMEQQSNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2/c1-5-12-14-9(15-13-5)6-2-3-7(10(16)17)8(11)4-6/h2-4H,1H3,(H,16,17).
What are the key properties of 2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid?
2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid has a molecular weight of 234.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid is sourced from PubChem (CID 74223165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).