5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine

C14H7F2IN4 — CID 146548811

IUPAC5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine
SMILESFc1cnccc1-c1nnc(I)nc1-c1ccccc1F
InChIInChI=1S/C14H7F2IN4/c15-10-4-2-1-3-8(10)12-13(20-21-14(17)19-12)9-5-6-18-7-11(9)16/h1-7H
InChIKeyADGAXNZESXTIQH-UHFFFAOYSA-N
MW396.14 g/mol
LogP3.48
Rot. Bonds2

About 5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine

5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine (PubChem CID 146548811) has the molecular formula C14H7F2IN4 and a molecular weight of 396.14 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine
PubChem CID146548811
Molecular FormulaC14H7F2IN4
Molecular Weight396.14 g/mol
Exact Mass395.97
IUPAC Name5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine
SMILESFc1cnccc1-c1nnc(I)nc1-c1ccccc1F
InChIInChI=1S/C14H7F2IN4/c15-10-4-2-1-3-8(10)12-13(20-21-14(17)19-12)9-5-6-18-7-11(9)16/h1-7H
InChIKeyADGAXNZESXTIQH-UHFFFAOYSA-N
XLogP3.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.14
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine?
The IUPAC name of 5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine (CID 146548811) is 5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine.
What is the SMILES notation for 5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine?
The canonical SMILES for 5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine is Fc1cnccc1-c1nnc(I)nc1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine?
The InChIKey is ADGAXNZESXTIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2IN4/c15-10-4-2-1-3-8(10)12-13(20-21-14(17)19-12)9-5-6-18-7-11(9)16/h1-7H.
What are the key properties of 5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine?
5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine has a molecular weight of 396.14 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine is sourced from PubChem (CID 146548811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).