3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine

C9H9BrN4O — CID 107043116

IUPAC3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine
SMILESCn1cc(COc2cncc(Br)c2)nn1
InChIInChI=1S/C9H9BrN4O/c1-14-5-8(12-13-14)6-15-9-2-7(10)3-11-4-9/h2-5H,6H2,1H3
InChIKeyKBBNLFZVZOTUPR-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.55
Rot. Bonds3

About 3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine

3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine (PubChem CID 107043116) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine
PubChem CID107043116
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine
SMILESCn1cc(COc2cncc(Br)c2)nn1
InChIInChI=1S/C9H9BrN4O/c1-14-5-8(12-13-14)6-15-9-2-7(10)3-11-4-9/h2-5H,6H2,1H3
InChIKeyKBBNLFZVZOTUPR-UHFFFAOYSA-N
XLogP1.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-[(3-methylimidazol-4-yl)methoxy]pyridine
CID 66140514
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine
CID 107052299
1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
2-[(5-bromo-3-pyridinyl)oxymethyl]-6-methylpyridine
CID 79267890
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
5-bromo-2-[(1-methyltriazol-4-yl)methoxy]benzoic acid
CID 113437332
5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 107043162
(1S)-1-[4-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043932
3-bromo-5-phenylmethoxypyridine
CID 15389198
6-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
CID 79239382

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine?
The IUPAC name of 3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine (CID 107043116) is 3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine.
What is the SMILES notation for 3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine?
The canonical SMILES for 3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine is Cn1cc(COc2cncc(Br)c2)nn1.
What is the InChIKey of 3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine?
The InChIKey is KBBNLFZVZOTUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-14-5-8(12-13-14)6-15-9-2-7(10)3-11-4-9/h2-5H,6H2,1H3.
What are the key properties of 3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine?
3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine has a molecular weight of 269.10 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine is sourced from PubChem (CID 107043116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).