1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone

C14H10FN5O — CID 860973

IUPAC1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2cccnc2)n1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN5O/c15-12-5-3-10(4-6-12)13(21)9-20-18-14(17-19-20)11-2-1-7-16-8-11/h1-8H,9H2
InChIKeyJYCAEHKTEIFBKK-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.76
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone

1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone (PubChem CID 860973) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
PubChem CID860973
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC Name1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2cccnc2)n1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN5O/c15-12-5-3-10(4-6-12)13(21)9-20-18-14(17-19-20)11-2-1-7-16-8-11/h1-8H,9H2
InChIKeyJYCAEHKTEIFBKK-UHFFFAOYSA-N
XLogP1.76
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone (CID 860973) is 1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2cccnc2)n1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
The InChIKey is JYCAEHKTEIFBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c15-12-5-3-10(4-6-12)13(21)9-20-18-14(17-19-20)11-2-1-7-16-8-11/h1-8H,9H2.
What are the key properties of 1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone?
1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone has a molecular weight of 283.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 860973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).