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

C13H10ClN3O — CID 117139617

IUPAC3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOc1ccc2nnc(Cc3ccccc3Cl)n2c1
InChIInChI=1S/C13H10ClN3O/c14-11-4-2-1-3-9(11)7-13-16-15-12-6-5-10(18)8-17(12)13/h1-6,8,18H,7H2
InChIKeyHRWLYIPMKJDWOG-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.68
Rot. Bonds2

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

3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117139617) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117139617
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOc1ccc2nnc(Cc3ccccc3Cl)n2c1
InChIInChI=1S/C13H10ClN3O/c14-11-4-2-1-3-9(11)7-13-16-15-12-6-5-10(18)8-17(12)13/h1-6,8,18H,7H2
InChIKeyHRWLYIPMKJDWOG-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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Related Compounds

3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139687
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139567
3-[(2-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139614
3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139612
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798995
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389506
3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139960
6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117138066
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxylic acid
CID 19904237
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
CID 19904227
3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138632

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117139617) is 3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol is Oc1ccc2nnc(Cc3ccccc3Cl)n2c1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is HRWLYIPMKJDWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-11-4-2-1-3-9(11)7-13-16-15-12-6-5-10(18)8-17(12)13/h1-6,8,18H,7H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-[(2-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-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117139617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).