3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

C14H10ClN3O3 — CID 117257347

IUPAC3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(COc3ccc(Cl)cc3)nnc2c1
InChIInChI=1S/C14H10ClN3O3/c15-10-1-3-11(4-2-10)21-8-13-17-16-12-7-9(14(19)20)5-6-18(12)13/h1-7H,8H2,(H,19,20)
InChIKeyJFWVJOMDHNKDGS-UHFFFAOYSA-N
MW303.71 g/mol
LogP2.66
Rot. Bonds4

About 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 117257347) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
PubChem CID117257347
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(COc3ccc(Cl)cc3)nnc2c1
InChIInChI=1S/C14H10ClN3O3/c15-10-1-3-11(4-2-10)21-8-13-17-16-12-7-9(14(19)20)5-6-18(12)13/h1-7H,8H2,(H,19,20)
InChIKeyJFWVJOMDHNKDGS-UHFFFAOYSA-N
XLogP2.66
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257284
7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 84611753
3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117257338
3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257215
methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117257343
methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392786
3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145011
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol
CID 117257025
3-ethanethioyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 134420827
3-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145002

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 117257347) is 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(COc3ccc(Cl)cc3)nnc2c1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The InChIKey is JFWVJOMDHNKDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-10-1-3-11(4-2-10)21-8-13-17-16-12-7-9(14(19)20)5-6-18(12)13/h1-7H,8H2,(H,19,20).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 303.71 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117257347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).