1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one

C11H7FN6O — CID 176914096

IUPAC1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one
SMILESO=c1c(-c2nn[nH]n2)cccn1-c1ccc(F)nc1
InChIInChI=1S/C11H7FN6O/c12-9-4-3-7(6-13-9)18-5-1-2-8(11(18)19)10-14-16-17-15-10/h1-6H,(H,14,15,16,17)
InChIKeyCAXGPGFAFXKUJQ-UHFFFAOYSA-N
MW258.22 g/mol
LogP0.55
Rot. Bonds2

About 1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one

1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one (PubChem CID 176914096) has the molecular formula C11H7FN6O and a molecular weight of 258.22 g/mol. Its IUPAC name is 1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one
PubChem CID176914096
Molecular FormulaC11H7FN6O
Molecular Weight258.22 g/mol
Exact Mass258.07
IUPAC Name1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one
SMILESO=c1c(-c2nn[nH]n2)cccn1-c1ccc(F)nc1
InChIInChI=1S/C11H7FN6O/c12-9-4-3-7(6-13-9)18-5-1-2-8(11(18)19)10-14-16-17-15-10/h1-6H,(H,14,15,16,17)
InChIKeyCAXGPGFAFXKUJQ-UHFFFAOYSA-N
XLogP0.55
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one?
The IUPAC name of 1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one (CID 176914096) is 1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one.
What is the SMILES notation for 1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one?
The canonical SMILES for 1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one is O=c1c(-c2nn[nH]n2)cccn1-c1ccc(F)nc1.
What is the InChIKey of 1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one?
The InChIKey is CAXGPGFAFXKUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN6O/c12-9-4-3-7(6-13-9)18-5-1-2-8(11(18)19)10-14-16-17-15-10/h1-6H,(H,14,15,16,17).
What are the key properties of 1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one?
1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one has a molecular weight of 258.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3-pyridinyl)-3-(2H-tetrazol-5-yl)pyridin-2-one is sourced from PubChem (CID 176914096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).