[1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol

C8H7BrN4O — CID 83854134

IUPAC[1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(Br)nc2)nn1
InChIInChI=1S/C8H7BrN4O/c9-8-2-1-7(3-10-8)13-4-6(5-14)11-12-13/h1-4,14H,5H2
InChIKeyKKPDHFLAWOLETP-UHFFFAOYSA-N
MW255.07 g/mol
LogP0.92
Rot. Bonds2

About [1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol

[1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol (PubChem CID 83854134) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is [1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol
PubChem CID83854134
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name[1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(Br)nc2)nn1
InChIInChI=1S/C8H7BrN4O/c9-8-2-1-7(3-10-8)13-4-6(5-14)11-12-13/h1-4,14H,5H2
InChIKeyKKPDHFLAWOLETP-UHFFFAOYSA-N
XLogP0.92
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-[4-bromo-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 64854550
[1-(4-propylphenyl)triazol-4-yl]methanol
CID 59667719
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
CID 55066745
3-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]propanenitrile
CID 150622052
[1-(4-methoxy-3-methylphenyl)triazol-4-yl]methanol
CID 62399943
[1-(4-hexylphenyl)triazol-4-yl]methanol
CID 70928371
[1-[4-[2-(methylamino)ethynyl]phenyl]triazol-4-yl]methanol
CID 144768553
2-bromo-5-(triazol-1-yl)pyridine
CID 84689550
[1-(5-bromo-2-chlorophenyl)triazol-4-yl]methanol
CID 62907899
5-[4-(hydroxymethyl)triazol-1-yl]benzene-1,3-dicarboxylic acid
CID 82195503
[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]methanol
CID 62401832
2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol
CID 107806561

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol?
The IUPAC name of [1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol (CID 83854134) is [1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol is OCc1cn(-c2ccc(Br)nc2)nn1.
What is the InChIKey of [1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol?
The InChIKey is KKPDHFLAWOLETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-8-2-1-7(3-10-8)13-4-6(5-14)11-12-13/h1-4,14H,5H2.
What are the key properties of [1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol?
[1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol has a molecular weight of 255.07 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol is sourced from PubChem (CID 83854134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).