2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid

C9H6ClFN4O2 — CID 81461870

IUPAC2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1cccc(F)c1Cl
InChIInChI=1S/C9H6ClFN4O2/c10-8-5(2-1-3-6(8)11)9-12-13-14-15(9)4-7(16)17/h1-3H,4H2,(H,16,17)
InChIKeyRWORYLQTGDYGLQ-UHFFFAOYSA-N
MW256.62 g/mol
LogP1.22
Rot. Bonds3

About 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid

2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid (PubChem CID 81461870) has the molecular formula C9H6ClFN4O2 and a molecular weight of 256.62 g/mol. Its IUPAC name is 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid
PubChem CID81461870
Molecular FormulaC9H6ClFN4O2
Molecular Weight256.62 g/mol
Exact Mass256.02
IUPAC Name2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1cccc(F)c1Cl
InChIInChI=1S/C9H6ClFN4O2/c10-8-5(2-1-3-6(8)11)9-12-13-14-15(9)4-7(16)17/h1-3H,4H2,(H,16,17)
InChIKeyRWORYLQTGDYGLQ-UHFFFAOYSA-N
XLogP1.22
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.62
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160437
1-[[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447209
2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 81461945
2-[5-[(2-chloro-3-fluorophenyl)methylsulfanyl]tetrazol-1-yl]acetic acid
CID 112651716
2-(5-quinolin-8-yltetrazol-1-yl)acetic acid
CID 66042569
2-[5-(3,4,5-trifluorophenyl)tetrazol-1-yl]acetic acid
CID 66040770
1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614
2-[5-(4-bromo-3-fluorophenyl)tetrazol-1-yl]acetic acid
CID 66041963
2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid
CID 136812872
2-[5-(5-phenylthiophen-2-yl)tetrazol-1-yl]acetic acid
CID 19427378
2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
CID 135761962
4-[5-(2-chloro-3-methylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160482

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid (CID 81461870) is 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1-c1cccc(F)c1Cl.
What is the InChIKey of 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid?
The InChIKey is RWORYLQTGDYGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN4O2/c10-8-5(2-1-3-6(8)11)9-12-13-14-15(9)4-7(16)17/h1-3H,4H2,(H,16,17).
What are the key properties of 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid?
2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid has a molecular weight of 256.62 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 81461870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).