2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid

C13H9FN4O3 — CID 106698813

IUPAC2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2nnc(-c3ccco3)n2)cc1F
InChIInChI=1S/C13H9FN4O3/c14-10-6-8(3-4-9(10)13(19)20)7-18-16-12(15-17-18)11-2-1-5-21-11/h1-6H,7H2,(H,19,20)
InChIKeyNMNGNSWBNNGSBX-UHFFFAOYSA-N
MW288.24 g/mol
LogP1.82
Rot. Bonds4

About 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid

2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid (PubChem CID 106698813) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid
PubChem CID106698813
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC Name2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2nnc(-c3ccco3)n2)cc1F
InChIInChI=1S/C13H9FN4O3/c14-10-6-8(3-4-9(10)13(19)20)7-18-16-12(15-17-18)11-2-1-5-21-11/h1-6H,7H2,(H,19,20)
InChIKeyNMNGNSWBNNGSBX-UHFFFAOYSA-N
XLogP1.82
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic 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

3,5-difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 142452063
2-(Difluoromethyl)-5-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722437
2H-Tetrazole-2-acetic acid, 5-(5-(3-methylphenyl)-2-furanyl)-
CID 3022224
2H-Tetrazole-2-acetic acid, 5-(5-(4-methoxyphenyl)-2-furanyl)-
CID 3022225
2H-Tetrazole-2-acetic acid, 5-(5-(2-methoxyphenyl)-2-furanyl)-
CID 3022226
2H-Tetrazole-2-acetic acid, 5-(5-(4-chlorophenyl)-2-furanyl)-
CID 3022380
2H-Tetrazole-2-acetic acid, 5-(5-(3-chlorophenyl)-2-furanyl)-
CID 3022381
2H-Tetrazole-2-acetic acid, 5-(5-(2-chlorophenyl)-2-furanyl)-
CID 3022382
2H-Tetrazole-2-acetic acid, 5-(5-(4-bromophenyl)-2-furanyl)-
CID 3022383
(2S)-1-(4-fluorophenoxy)-3-[5-(furan-2-yl)tetrazol-2-yl]propan-2-ol
CID 124626127
3-Fluoro-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid
CID 139773665
2-Fluoro-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoic acid
CID 139773910

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid (CID 106698813) is 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid is O=C(O)c1ccc(Cn2nnc(-c3ccco3)n2)cc1F.
What is the InChIKey of 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid?
The InChIKey is NMNGNSWBNNGSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c14-10-6-8(3-4-9(10)13(19)20)7-18-16-12(15-17-18)11-2-1-5-21-11/h1-6H,7H2,(H,19,20).
What are the key properties of 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid?
2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid has a molecular weight of 288.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoic acid is sourced from PubChem (CID 106698813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).