(8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol

C7H6IN3O — CID 133061798

IUPAC(8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol
SMILESOCc1nc2c(I)cccn2n1
InChIInChI=1S/C7H6IN3O/c8-5-2-1-3-11-7(5)9-6(4-12)10-11/h1-3,12H,4H2
InChIKeyDHEPDUOTIZTUPM-UHFFFAOYSA-N
MW275.05 g/mol
LogP0.83
Rot. Bonds1

About (8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol

(8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol (PubChem CID 133061798) has the molecular formula C7H6IN3O and a molecular weight of 275.05 g/mol. Its IUPAC name is (8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol
PubChem CID133061798
Molecular FormulaC7H6IN3O
Molecular Weight275.05 g/mol
Exact Mass274.96
IUPAC Name(8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol
SMILESOCc1nc2c(I)cccn2n1
InChIInChI=1S/C7H6IN3O/c8-5-2-1-3-11-7(5)9-6(4-12)10-11/h1-3,12H,4H2
InChIKeyDHEPDUOTIZTUPM-UHFFFAOYSA-N
XLogP0.83
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 82566665
2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565694
N-methyl-1-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
CID 83866288
2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117137351
2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117258051
8-chloro-2-iodo-[1,2,4]triazolo[1,5-a]pyridine
CID 142607838
2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117258010
2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117257999
2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine
CID 83844072
N-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,4-difluorobenzamide
CID 53190383
8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258015
methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate
CID 116989828

Frequently Asked Questions

What is the IUPAC name of (8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol?
The IUPAC name of (8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol (CID 133061798) is (8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol.
What is the SMILES notation for (8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol?
The canonical SMILES for (8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol is OCc1nc2c(I)cccn2n1.
What is the InChIKey of (8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol?
The InChIKey is DHEPDUOTIZTUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3O/c8-5-2-1-3-11-7(5)9-6(4-12)10-11/h1-3,12H,4H2.
What are the key properties of (8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol?
(8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol has a molecular weight of 275.05 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-iodo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanol is sourced from PubChem (CID 133061798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).