3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid

C9H8FN5O2 — CID 104786745

IUPAC3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1-c1cncc(F)c1
InChIInChI=1S/C9H8FN5O2/c10-7-3-6(4-11-5-7)9-12-13-14-15(9)2-1-8(16)17/h3-5H,1-2H2,(H,16,17)
InChIKeyBSWFBGCANSMIIN-UHFFFAOYSA-N
MW237.19 g/mol
LogP0.35
Rot. Bonds4

About 3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid

3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid (PubChem CID 104786745) has the molecular formula C9H8FN5O2 and a molecular weight of 237.19 g/mol. Its IUPAC name is 3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid
PubChem CID104786745
Molecular FormulaC9H8FN5O2
Molecular Weight237.19 g/mol
Exact Mass237.07
IUPAC Name3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1-c1cncc(F)c1
InChIInChI=1S/C9H8FN5O2/c10-7-3-6(4-11-5-7)9-12-13-14-15(9)2-1-8(16)17/h3-5H,1-2H2,(H,16,17)
InChIKeyBSWFBGCANSMIIN-UHFFFAOYSA-N
XLogP0.35
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid
CID 113396072
4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 66044137
2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 104786748
3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
CID 66040610
4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid
CID 66046763
3-[5-(4-bromo-3-chlorophenyl)tetrazol-1-yl]propanoic acid
CID 81308251
3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid
CID 136742815
4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 113400421
3-[5-(1-methylimidazol-4-yl)tetrazol-1-yl]propanoic acid
CID 107975976
4-[5-(3,5-dibromophenyl)tetrazol-1-yl]butanoic acid
CID 114023073
4-[5-(3-bromo-4-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 114020246
3-[5-(3-bromo-4-methoxyphenyl)tetrazol-1-yl]propanoic acid
CID 66041010

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid (CID 104786745) is 3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid is O=C(O)CCn1nnnc1-c1cncc(F)c1.
What is the InChIKey of 3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid?
The InChIKey is BSWFBGCANSMIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O2/c10-7-3-6(4-11-5-7)9-12-13-14-15(9)2-1-8(16)17/h3-5H,1-2H2,(H,16,17).
What are the key properties of 3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid?
3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid has a molecular weight of 237.19 g/mol, XLogP of 0.35, 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-3-pyridinyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 104786745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).