2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid

C13H16FN5O2 — CID 104643311

IUPAC2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(Cn1nnnc1-c1ccc(F)cn1)C(=O)O
InChIInChI=1S/C13H16FN5O2/c1-8(2)5-9(13(20)21)7-19-12(16-17-18-19)11-4-3-10(14)6-15-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,20,21)
InChIKeyOQLSTTYDESABOA-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.62
Rot. Bonds6

About 2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid

2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid (PubChem CID 104643311) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
PubChem CID104643311
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(Cn1nnnc1-c1ccc(F)cn1)C(=O)O
InChIInChI=1S/C13H16FN5O2/c1-8(2)5-9(13(20)21)7-19-12(16-17-18-19)11-4-3-10(14)6-15-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,20,21)
InChIKeyOQLSTTYDESABOA-UHFFFAOYSA-N
XLogP1.62
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 104786748
1-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 104643317
2-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 80641921
2-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]ethanamine
CID 79713126
4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475047
3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
CID 104643323
4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475006
3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid
CID 104643324
2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid
CID 80541339
2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 103028689
2-[(5-hexyltetrazol-1-yl)methyl]-4-methylpentanoic acid
CID 114754247
4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475215

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid (CID 104643311) is 2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid is CC(C)CC(Cn1nnnc1-c1ccc(F)cn1)C(=O)O.
What is the InChIKey of 2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
The InChIKey is OQLSTTYDESABOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-8(2)5-9(13(20)21)7-19-12(16-17-18-19)11-4-3-10(14)6-15-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,20,21).
What are the key properties of 2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid has a molecular weight of 293.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 104643311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).