3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid

C13H16FN5O2 — CID 104643323

IUPAC3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)n1nnnc1-c1ccc(F)cn1
InChIInChI=1S/C13H16FN5O2/c1-13(2,3)10(6-11(20)21)19-12(16-17-18-19)9-5-4-8(14)7-15-9/h4-5,7,10H,6H2,1-3H3,(H,20,21)
InChIKeyHSBCBWZGQRFUDC-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.94
Rot. Bonds4

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

3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid (PubChem CID 104643323) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
PubChem CID104643323
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)n1nnnc1-c1ccc(F)cn1
InChIInChI=1S/C13H16FN5O2/c1-13(2,3)10(6-11(20)21)19-12(16-17-18-19)9-5-4-8(14)7-15-9/h4-5,7,10H,6H2,1-3H3,(H,20,21)
InChIKeyHSBCBWZGQRFUDC-UHFFFAOYSA-N
XLogP1.94
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid
CID 104643324
4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid
CID 104673113
2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 104643311
3-[5-(5-bromothiophen-3-yl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
CID 107967112
1-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 104643317
3-[5-(5-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 66044111
3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
CID 113374865
3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 66041430
2-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]ethanamine
CID 79713126
2-[[5-(5-fluoro-2-pyridinyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 104639094
3-[5-(2-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 79206504
3-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]butanoic acid
CID 66042627

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid?
The IUPAC name of 3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid (CID 104643323) is 3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid is CC(C)(C)C(CC(=O)O)n1nnnc1-c1ccc(F)cn1.
What is the InChIKey of 3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid?
The InChIKey is HSBCBWZGQRFUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-13(2,3)10(6-11(20)21)19-12(16-17-18-19)9-5-4-8(14)7-15-9/h4-5,7,10H,6H2,1-3H3,(H,20,21).
What are the key properties of 3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid?
3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid has a molecular weight of 293.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 104643323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).