2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C13H9ClN4O2 — CID 82565619

IUPAC2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccncc2)n2nc(CCl)nc12
InChIInChI=1S/C13H9ClN4O2/c14-7-11-16-12-9(13(19)20)1-2-10(18(12)17-11)8-3-5-15-6-4-8/h1-6H,7H2,(H,19,20)
InChIKeyADDCYTPSEUCAFT-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.23
Rot. Bonds3

About 2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82565619) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82565619
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccncc2)n2nc(CCl)nc12
InChIInChI=1S/C13H9ClN4O2/c14-7-11-16-12-9(13(19)20)1-2-10(18(12)17-11)8-3-5-15-6-4-8/h1-6H,7H2,(H,19,20)
InChIKeyADDCYTPSEUCAFT-UHFFFAOYSA-N
XLogP2.23
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565620
2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565629
2-(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565577
2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565773
2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565923
methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565479
2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565677
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565609
2-(4-aminophenyl)-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565686
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565674
1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16782401

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82565619) is 2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1ccc(-c2ccncc2)n2nc(CCl)nc12.
What is the InChIKey of 2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is ADDCYTPSEUCAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c14-7-11-16-12-9(13(19)20)1-2-10(18(12)17-11)8-3-5-15-6-4-8/h1-6H,7H2,(H,19,20).
What are the key properties of 2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 288.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82565619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).