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

C10H10FN5O2 — CID 66041203

IUPAC2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1ccncc1F
InChIInChI=1S/C10H10FN5O2/c1-10(2,9(17)18)16-8(13-14-15-16)6-3-4-12-5-7(6)11/h3-5H,1-2H3,(H,17,18)
InChIKeyCQORHXRVJFMEFD-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.69
Rot. Bonds3

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

2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 66041203) has the molecular formula C10H10FN5O2 and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID66041203
Molecular FormulaC10H10FN5O2
Molecular Weight251.22 g/mol
Exact Mass251.08
IUPAC Name2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1ccncc1F
InChIInChI=1S/C10H10FN5O2/c1-10(2,9(17)18)16-8(13-14-15-16)6-3-4-12-5-7(6)11/h3-5H,1-2H3,(H,17,18)
InChIKeyCQORHXRVJFMEFD-UHFFFAOYSA-N
XLogP0.69
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid (CID 66041203) is 2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1nnnc1-c1ccncc1F.
What is the InChIKey of 2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is CQORHXRVJFMEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2/c1-10(2,9(17)18)16-8(13-14-15-16)6-3-4-12-5-7(6)11/h3-5H,1-2H3,(H,17,18).
What are the key properties of 2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid?
2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 251.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 66041203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).