2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid

C9H7FN4O3 — CID 107677422

IUPAC2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid
SMILESCn1nnnc1Oc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C9H7FN4O3/c1-14-9(11-12-13-14)17-5-2-3-6(8(15)16)7(10)4-5/h2-4H,1H3,(H,15,16)
InChIKeyIHYSRFXSWHKOFW-UHFFFAOYSA-N
MW238.18 g/mol
LogP0.84
Rot. Bonds3

About 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid

2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid (PubChem CID 107677422) has the molecular formula C9H7FN4O3 and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid
PubChem CID107677422
Molecular FormulaC9H7FN4O3
Molecular Weight238.18 g/mol
Exact Mass238.05
IUPAC Name2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid
SMILESCn1nnnc1Oc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C9H7FN4O3/c1-14-9(11-12-13-14)17-5-2-3-6(8(15)16)7(10)4-5/h2-4H,1H3,(H,15,16)
InChIKeyIHYSRFXSWHKOFW-UHFFFAOYSA-N
XLogP0.84
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic 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-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)oxy]-2-fluorobenzoic acid
CID 107677451
2-fluoro-4-[(1-methyltetrazol-5-yl)amino]benzoic acid
CID 107793526
2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 107677373
4-(4-cyano-1,3-dimethylpyrazol-5-yl)oxy-2-fluorobenzoic acid
CID 107677424
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
2-chloro-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 23502600
2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
CID 107677466
4-[(5-tert-butyl-2-pyridinyl)oxy]-2-fluorobenzoic acid
CID 107875380
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510
2-fluoro-4-pyrimidin-4-yloxybenzoic acid
CID 107677489
2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid?
The IUPAC name of 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid (CID 107677422) is 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid.
What is the SMILES notation for 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid?
The canonical SMILES for 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid is Cn1nnnc1Oc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid?
The InChIKey is IHYSRFXSWHKOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O3/c1-14-9(11-12-13-14)17-5-2-3-6(8(15)16)7(10)4-5/h2-4H,1H3,(H,15,16).
What are the key properties of 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid?
2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid has a molecular weight of 238.18 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid is sourced from PubChem (CID 107677422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).