2-(5-pyridin-4-yltetrazol-2-yl)acetic acid

C8H7N5O2 — CID 3163494

IUPAC2-(5-pyridin-4-yltetrazol-2-yl)acetic acid
SMILESO=C(O)Cn1nnc(-c2ccncc2)n1
InChIInChI=1S/C8H7N5O2/c14-7(15)5-13-11-8(10-12-13)6-1-3-9-4-2-6/h1-4H,5H2,(H,14,15)
InChIKeyINDKFDGFMNCCDQ-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.18
Rot. Bonds3

About 2-(5-pyridin-4-yltetrazol-2-yl)acetic acid

2-(5-pyridin-4-yltetrazol-2-yl)acetic acid (PubChem CID 3163494) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(5-pyridin-4-yltetrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-pyridin-4-yltetrazol-2-yl)acetic acid
PubChem CID3163494
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name2-(5-pyridin-4-yltetrazol-2-yl)acetic acid
SMILESO=C(O)Cn1nnc(-c2ccncc2)n1
InChIInChI=1S/C8H7N5O2/c14-7(15)5-13-11-8(10-12-13)6-1-3-9-4-2-6/h1-4H,5H2,(H,14,15)
InChIKeyINDKFDGFMNCCDQ-UHFFFAOYSA-N
XLogP-0.18
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 6884242
5-(4-Pyridyl)-1H-Tetrazole
CID 482249
[5-(3-Pyridyl)tetrazol-2-yl]methyl 2,2-dimethylpropanoate
CID 482251
4-[1-Pivaloyloxymethyl-(2-tetrazolyl)] pyridine
CID 482253
4-[1-Pivaloyloxymethyl-(5-tetrazolyl)] pyridine
CID 482254
Ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate
CID 2745964
2-(5-Pyridin-4-yl-tetrazol-2-yl)-ethanol
CID 10559608
(5-Pyridin-4-yltetrazol-1-yl)methyl 2,2-dimethylpropanoate
CID 10635143
(5-Pyridin-3-yltetrazol-1-yl)methyl 2,2-dimethylpropanoate
CID 10801373
3-(5-Pyridin-4-yl-tetrazol-2-yl)-propionitrile
CID 10845706
3-((2-benzyl-2H-tetrazol-5-yl)methyl)pyridine
CID 44445278
3-((2-phenethyl-2H-tetrazol-5-yl)methyl)pyridine
CID 44445279

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-4-yltetrazol-2-yl)acetic acid?
The IUPAC name of 2-(5-pyridin-4-yltetrazol-2-yl)acetic acid (CID 3163494) is 2-(5-pyridin-4-yltetrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-pyridin-4-yltetrazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-pyridin-4-yltetrazol-2-yl)acetic acid is O=C(O)Cn1nnc(-c2ccncc2)n1.
What is the InChIKey of 2-(5-pyridin-4-yltetrazol-2-yl)acetic acid?
The InChIKey is INDKFDGFMNCCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c14-7(15)5-13-11-8(10-12-13)6-1-3-9-4-2-6/h1-4H,5H2,(H,14,15).
What are the key properties of 2-(5-pyridin-4-yltetrazol-2-yl)acetic acid?
2-(5-pyridin-4-yltetrazol-2-yl)acetic acid has a molecular weight of 205.18 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-4-yltetrazol-2-yl)acetic acid is sourced from PubChem (CID 3163494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).