2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine

C10H10BrFN4 — CID 156732322

IUPAC2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine
SMILESCC(C)c1nc(Br)nn1-c1ccc(F)cn1
InChIInChI=1S/C10H10BrFN4/c1-6(2)9-14-10(11)15-16(9)8-4-3-7(12)5-13-8/h3-6H,1-2H3
InChIKeyLQSRYTJMMUVNSJ-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.69
Rot. Bonds2

About 2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine

2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine (PubChem CID 156732322) has the molecular formula C10H10BrFN4 and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine
PubChem CID156732322
Molecular FormulaC10H10BrFN4
Molecular Weight285.12 g/mol
Exact Mass284.01
IUPAC Name2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine
SMILESCC(C)c1nc(Br)nn1-c1ccc(F)cn1
InChIInChI=1S/C10H10BrFN4/c1-6(2)9-14-10(11)15-16(9)8-4-3-7(12)5-13-8/h3-6H,1-2H3
InChIKeyLQSRYTJMMUVNSJ-UHFFFAOYSA-N
XLogP2.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine?
The IUPAC name of 2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine (CID 156732322) is 2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine.
What is the SMILES notation for 2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine?
The canonical SMILES for 2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine is CC(C)c1nc(Br)nn1-c1ccc(F)cn1.
What is the InChIKey of 2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine?
The InChIKey is LQSRYTJMMUVNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4/c1-6(2)9-14-10(11)15-16(9)8-4-3-7(12)5-13-8/h3-6H,1-2H3.
What are the key properties of 2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine?
2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine has a molecular weight of 285.12 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine is sourced from PubChem (CID 156732322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).