2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid

C13H16FN5O2 — CID 104786748

IUPAC2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(Cn1nnnc1-c1cncc(F)c1)C(=O)O
InChIInChI=1S/C13H16FN5O2/c1-8(2)3-10(13(20)21)7-19-12(16-17-18-19)9-4-11(14)6-15-5-9/h4-6,8,10H,3,7H2,1-2H3,(H,20,21)
InChIKeyTXQCXTANKBYVHM-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.62
Rot. Bonds6

About 2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid

2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid (PubChem CID 104786748) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
PubChem CID104786748
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(Cn1nnnc1-c1cncc(F)c1)C(=O)O
InChIInChI=1S/C13H16FN5O2/c1-8(2)3-10(13(20)21)7-19-12(16-17-18-19)9-4-11(14)6-15-5-9/h4-6,8,10H,3,7H2,1-2H3,(H,20,21)
InChIKeyTXQCXTANKBYVHM-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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid (CID 104786748) is 2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid is CC(C)CC(Cn1nnnc1-c1cncc(F)c1)C(=O)O.
What is the InChIKey of 2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
The InChIKey is TXQCXTANKBYVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-8(2)3-10(13(20)21)7-19-12(16-17-18-19)9-4-11(14)6-15-5-9/h4-6,8,10H,3,7H2,1-2H3,(H,20,21).
What are the key properties of 2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
2-[[5-(5-fluoro-3-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-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 104786748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).