3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid

C11H13N5O3 — CID 114040580

IUPAC3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)n1nnnc1-c1cccc(=O)[nH]1
InChIInChI=1S/C11H13N5O3/c1-2-7(6-10(18)19)16-11(13-14-15-16)8-4-3-5-9(17)12-8/h3-5,7H,2,6H2,1H3,(H,12,17)(H,18,19)
InChIKeyZXFSLUIAJYHGKY-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.45
Rot. Bonds5

About 3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid

3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid (PubChem CID 114040580) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid
PubChem CID114040580
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)n1nnnc1-c1cccc(=O)[nH]1
InChIInChI=1S/C11H13N5O3/c1-2-7(6-10(18)19)16-11(13-14-15-16)8-4-3-5-9(17)12-8/h3-5,7H,2,6H2,1H3,(H,12,17)(H,18,19)
InChIKeyZXFSLUIAJYHGKY-UHFFFAOYSA-N
XLogP0.45
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid
CID 106864525
3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid
CID 107967102
3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 82002253
3-[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]hexanoic acid
CID 107526441
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid
CID 103028701
3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid
CID 106754449
3-[5-(2,3-dimethylphenyl)tetrazol-1-yl]butanoic acid
CID 66046972
3-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66044352
3-(6-oxo-1H-pyridin-2-yl)butanoic acid
CID 83875652
3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid
CID 102811524
3-[5-(2-bromofuran-3-yl)tetrazol-1-yl]-5,5-dimethylhexanoic acid
CID 106856440
3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid
CID 82003607

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid?
The IUPAC name of 3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid (CID 114040580) is 3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid is CCC(CC(=O)O)n1nnnc1-c1cccc(=O)[nH]1.
What is the InChIKey of 3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid?
The InChIKey is ZXFSLUIAJYHGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-2-7(6-10(18)19)16-11(13-14-15-16)8-4-3-5-9(17)12-8/h3-5,7H,2,6H2,1H3,(H,12,17)(H,18,19).
What are the key properties of 3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid?
3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid has a molecular weight of 263.26 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 114040580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).