3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine

C19H9F4N5 — CID 10339903

IUPAC3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine
SMILESFc1cnc(-c2nncc(-c3ccc(F)c(-c4ncccc4F)c3)n2)c(F)c1
InChIInChI=1S/C19H9F4N5/c20-11-7-15(23)18(25-8-11)19-27-16(9-26-28-19)10-3-4-13(21)12(6-10)17-14(22)2-1-5-24-17/h1-9H
InChIKeyARSSWWZSHQNAJL-UHFFFAOYSA-N
MW383.31 g/mol
LogP4.22
Rot. Bonds3

About 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine

3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine (PubChem CID 10339903) has the molecular formula C19H9F4N5 and a molecular weight of 383.31 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine.

Molecular Properties

Compound Name3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine
PubChem CID10339903
Molecular FormulaC19H9F4N5
Molecular Weight383.31 g/mol
Exact Mass383.08
IUPAC Name3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine
SMILESFc1cnc(-c2nncc(-c3ccc(F)c(-c4ncccc4F)c3)n2)c(F)c1
InChIInChI=1S/C19H9F4N5/c20-11-7-15(23)18(25-8-11)19-27-16(9-26-28-19)10-3-4-13(21)12(6-10)17-14(22)2-1-5-24-17/h1-9H
InChIKeyARSSWWZSHQNAJL-UHFFFAOYSA-N
XLogP4.22
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine?
The IUPAC name of 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine (CID 10339903) is 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine.
What is the SMILES notation for 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine?
The canonical SMILES for 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine is Fc1cnc(-c2nncc(-c3ccc(F)c(-c4ncccc4F)c3)n2)c(F)c1.
What is the InChIKey of 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine?
The InChIKey is ARSSWWZSHQNAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F4N5/c20-11-7-15(23)18(25-8-11)19-27-16(9-26-28-19)10-3-4-13(21)12(6-10)17-14(22)2-1-5-24-17/h1-9H.
What are the key properties of 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine?
3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine has a molecular weight of 383.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1,2,4-triazine is sourced from PubChem (CID 10339903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).