3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol

C13H10ClN3O — CID 117139687

IUPAC3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOc1ccc2nnc(Cc3ccc(Cl)cc3)n2c1
InChIInChI=1S/C13H10ClN3O/c14-10-3-1-9(2-4-10)7-13-16-15-12-6-5-11(18)8-17(12)13/h1-6,8,18H,7H2
InChIKeyIGPLQGBKCNAHIA-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.68
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol

3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117139687) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117139687
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOc1ccc2nnc(Cc3ccc(Cl)cc3)n2c1
InChIInChI=1S/C13H10ClN3O/c14-10-3-1-9(2-4-10)7-13-16-15-12-6-5-11(18)8-17(12)13/h1-6,8,18H,7H2
InChIKeyIGPLQGBKCNAHIA-UHFFFAOYSA-N
XLogP2.68
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117139687) is 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol is Oc1ccc2nnc(Cc3ccc(Cl)cc3)n2c1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is IGPLQGBKCNAHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-10-3-1-9(2-4-10)7-13-16-15-12-6-5-11(18)8-17(12)13/h1-6,8,18H,7H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 259.70 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117139687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).