2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid

C8H7N5O3 — CID 136812872

IUPAC2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1c[nH]ccc1=O
InChIInChI=1S/C8H7N5O3/c14-6-1-2-9-3-5(6)8-10-11-12-13(8)4-7(15)16/h1-3H,4H2,(H,9,14)(H,15,16)
InChIKeyHAUHIGZVKUBEHY-UHFFFAOYSA-N
MW221.18 g/mol
LogP-0.89
Rot. Bonds3

About 2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid

2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid (PubChem CID 136812872) has the molecular formula C8H7N5O3 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid
PubChem CID136812872
Molecular FormulaC8H7N5O3
Molecular Weight221.18 g/mol
Exact Mass221.05
IUPAC Name2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1c[nH]ccc1=O
InChIInChI=1S/C8H7N5O3/c14-6-1-2-9-3-5(6)8-10-11-12-13(8)4-7(15)16/h1-3H,4H2,(H,9,14)(H,15,16)
InChIKeyHAUHIGZVKUBEHY-UHFFFAOYSA-N
XLogP-0.89
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
CID 135761962
2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid
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2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]acetic acid
CID 81461870
2-(5-quinolin-8-yltetrazol-1-yl)acetic acid
CID 66042569
2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid
CID 104673061
2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
CID 66008884
2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid
CID 66042372
2-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]acetic acid
CID 19427362
2-[5-(5-phenylthiophen-2-yl)tetrazol-1-yl]acetic acid
CID 19427378
2-[5-(3,4,5-trifluorophenyl)tetrazol-1-yl]acetic acid
CID 66040770
2-[5-(4-bromo-3-fluorophenyl)tetrazol-1-yl]acetic acid
CID 66041963
3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid
CID 136742815

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid (CID 136812872) is 2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1-c1c[nH]ccc1=O.
What is the InChIKey of 2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid?
The InChIKey is HAUHIGZVKUBEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3/c14-6-1-2-9-3-5(6)8-10-11-12-13(8)4-7(15)16/h1-3H,4H2,(H,9,14)(H,15,16).
What are the key properties of 2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid?
2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid has a molecular weight of 221.18 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 136812872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).