2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine

C13H10F2N4 — CID 67561730

IUPAC2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine
SMILESFc1cc(F)cc(-n2ncc(C3CC=CC=N3)n2)c1
InChIInChI=1S/C13H10F2N4/c14-9-5-10(15)7-11(6-9)19-17-8-13(18-19)12-3-1-2-4-16-12/h1-2,4-8,12H,3H2
InChIKeyJWFDWGNIRWPGOU-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.62
Rot. Bonds2

About 2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine

2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine (PubChem CID 67561730) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine
PubChem CID67561730
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine
SMILESFc1cc(F)cc(-n2ncc(C3CC=CC=N3)n2)c1
InChIInChI=1S/C13H10F2N4/c14-9-5-10(15)7-11(6-9)19-17-8-13(18-19)12-3-1-2-4-16-12/h1-2,4-8,12H,3H2
InChIKeyJWFDWGNIRWPGOU-UHFFFAOYSA-N
XLogP2.62
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine?
The IUPAC name of 2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine (CID 67561730) is 2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine is Fc1cc(F)cc(-n2ncc(C3CC=CC=N3)n2)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine?
The InChIKey is JWFDWGNIRWPGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c14-9-5-10(15)7-11(6-9)19-17-8-13(18-19)12-3-1-2-4-16-12/h1-2,4-8,12H,3H2.
What are the key properties of 2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine?
2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine has a molecular weight of 260.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)triazol-4-yl]-2,3-dihydropyridine is sourced from PubChem (CID 67561730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).