3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine

C14H11BrN4O — CID 106878063

IUPAC3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine
SMILESCc1ccnc(Oc2ncn(-c3ccccc3)n2)c1Br
InChIInChI=1S/C14H11BrN4O/c1-10-7-8-16-13(12(10)15)20-14-17-9-19(18-14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeySAQPHLWKWXKHLJ-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.53
Rot. Bonds3

About 3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine

3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine (PubChem CID 106878063) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine
PubChem CID106878063
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine
SMILESCc1ccnc(Oc2ncn(-c3ccccc3)n2)c1Br
InChIInChI=1S/C14H11BrN4O/c1-10-7-8-16-13(12(10)15)20-14-17-9-19(18-14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeySAQPHLWKWXKHLJ-UHFFFAOYSA-N
XLogP3.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine?
The IUPAC name of 3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine (CID 106878063) is 3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine?
The canonical SMILES for 3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine is Cc1ccnc(Oc2ncn(-c3ccccc3)n2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine?
The InChIKey is SAQPHLWKWXKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-10-7-8-16-13(12(10)15)20-14-17-9-19(18-14)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine?
3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine has a molecular weight of 331.17 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine is sourced from PubChem (CID 106878063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).