6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C10H10BrF2N3O — CID 149104039

IUPAC6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)OC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C10H10BrF2N3O/c1-6(2)17-10(12,13)9-15-14-8-4-3-7(11)5-16(8)9/h3-6H,1-2H3
InChIKeyQVHNINRHFSLGTN-UHFFFAOYSA-N
MW306.11 g/mol
LogP2.97
Rot. Bonds3

About 6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 149104039) has the molecular formula C10H10BrF2N3O and a molecular weight of 306.11 g/mol. Its IUPAC name is 6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID149104039
Molecular FormulaC10H10BrF2N3O
Molecular Weight306.11 g/mol
Exact Mass305.00
IUPAC Name6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)OC(F)(F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C10H10BrF2N3O/c1-6(2)17-10(12,13)9-15-14-8-4-3-7(11)5-16(8)9/h3-6H,1-2H3
InChIKeyQVHNINRHFSLGTN-UHFFFAOYSA-N
XLogP2.97
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 149104039) is 6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is CC(C)OC(F)(F)c1nnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QVHNINRHFSLGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3O/c1-6(2)17-10(12,13)9-15-14-8-4-3-7(11)5-16(8)9/h3-6H,1-2H3.
What are the key properties of 6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 306.11 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[difluoro(propan-2-yloxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 149104039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).