5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid

C12H11FN4O2 — CID 146320225

IUPAC5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid
SMILESCc1cc(F)c(C(=O)O)cc1-n1nnc(C2CC2)n1
InChIInChI=1S/C12H11FN4O2/c1-6-4-9(13)8(12(18)19)5-10(6)17-15-11(14-16-17)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,18,19)
InChIKeyMECIAYQGBMTUAL-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.69
Rot. Bonds3

About 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid

5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid (PubChem CID 146320225) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid.

Molecular Properties

Compound Name5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid
PubChem CID146320225
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid
SMILESCc1cc(F)c(C(=O)O)cc1-n1nnc(C2CC2)n1
InChIInChI=1S/C12H11FN4O2/c1-6-4-9(13)8(12(18)19)5-10(6)17-15-11(14-16-17)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,18,19)
InChIKeyMECIAYQGBMTUAL-UHFFFAOYSA-N
XLogP1.69
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid?
The IUPAC name of 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid (CID 146320225) is 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid.
What is the SMILES notation for 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid?
The canonical SMILES for 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid is Cc1cc(F)c(C(=O)O)cc1-n1nnc(C2CC2)n1.
What is the InChIKey of 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid?
The InChIKey is MECIAYQGBMTUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-6-4-9(13)8(12(18)19)5-10(6)17-15-11(14-16-17)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,18,19).
What are the key properties of 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid?
5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid has a molecular weight of 262.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyltetrazol-2-yl)-2-fluoro-4-methylbenzoic acid is sourced from PubChem (CID 146320225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).