5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H9Cl2N3O — CID 117257005

IUPAC5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc(OCc2nnc3cccc(Cl)n23)c1
InChIInChI=1S/C13H9Cl2N3O/c14-9-3-1-4-10(7-9)19-8-13-17-16-12-6-2-5-11(15)18(12)13/h1-7H,8H2
InChIKeyMBBYTSHMFFUPHL-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.62
Rot. Bonds3

About 5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine

5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117257005) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117257005
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc(OCc2nnc3cccc(Cl)n23)c1
InChIInChI=1S/C13H9Cl2N3O/c14-9-3-1-4-10(7-9)19-8-13-17-16-12-6-2-5-11(15)18(12)13/h1-7H,8H2
InChIKeyMBBYTSHMFFUPHL-UHFFFAOYSA-N
XLogP3.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117257021
(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257045
5-bromo-3-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117256997
3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117257411
3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117255925
3-[2-(3-chlorophenoxy)ethylsulfanyl]-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 31651123
3-[(3-chlorophenoxy)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 113301405
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine
CID 117214480
3-[(3-chlorophenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
CID 972509
3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methoxy]aniline
CID 79818145
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117257005) is 5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccc(OCc2nnc3cccc(Cl)n23)c1.
What is the InChIKey of 5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MBBYTSHMFFUPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c14-9-3-1-4-10(7-9)19-8-13-17-16-12-6-2-5-11(15)18(12)13/h1-7H,8H2.
What are the key properties of 5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 294.14 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117257005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).