3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine

C9H9BrN4O — CID 130603980

IUPAC3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine
SMILESCc1nc(COc2cncc(Br)c2)n[nH]1
InChIInChI=1S/C9H9BrN4O/c1-6-12-9(14-13-6)5-15-8-2-7(10)3-11-4-8/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyRVICVRXHXIIPKW-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.85
Rot. Bonds3

About 3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine

3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine (PubChem CID 130603980) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine
PubChem CID130603980
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine
SMILESCc1nc(COc2cncc(Br)c2)n[nH]1
InChIInChI=1S/C9H9BrN4O/c1-6-12-9(14-13-6)5-15-8-2-7(10)3-11-4-8/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyRVICVRXHXIIPKW-UHFFFAOYSA-N
XLogP1.85
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-bromo-5-[(3-methylimidazol-4-yl)methoxy]pyridine
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3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine
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2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride
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1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine?
The IUPAC name of 3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine (CID 130603980) is 3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine.
What is the SMILES notation for 3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine?
The canonical SMILES for 3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine is Cc1nc(COc2cncc(Br)c2)n[nH]1.
What is the InChIKey of 3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine?
The InChIKey is RVICVRXHXIIPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-6-12-9(14-13-6)5-15-8-2-7(10)3-11-4-8/h2-4H,5H2,1H3,(H,12,13,14).
What are the key properties of 3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine?
3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine has a molecular weight of 269.10 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyridine is sourced from PubChem (CID 130603980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).