methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C13H9ClN4O3 — CID 105393608

IUPACmethyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nnc(-c3cncc(O)c3)n2c1
InChIInChI=1S/C13H9ClN4O3/c1-21-13(20)8-3-10(14)12-17-16-11(18(12)6-8)7-2-9(19)5-15-4-7/h2-6,19H,1H3
InChIKeyDOGLUULMVLTZGN-UHFFFAOYSA-N
MW304.69 g/mol
LogP1.94
Rot. Bonds2

About methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 105393608) has the molecular formula C13H9ClN4O3 and a molecular weight of 304.69 g/mol. Its IUPAC name is methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID105393608
Molecular FormulaC13H9ClN4O3
Molecular Weight304.69 g/mol
Exact Mass304.04
IUPAC Namemethyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2nnc(-c3cncc(O)c3)n2c1
InChIInChI=1S/C13H9ClN4O3/c1-21-13(20)8-3-10(14)12-17-16-11(18(12)6-8)7-2-9(19)5-15-4-7/h2-6,19H,1H3
InChIKeyDOGLUULMVLTZGN-UHFFFAOYSA-N
XLogP1.94
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 8-chloro-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 136702693
methyl 8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393557
methyl 8-chloro-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 102802261
methyl 8-chloro-3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 103122292
methyl 3-(2-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393579
methyl 8-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393688
methyl 8-chloro-3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393643
methyl 8-chloro-3-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393637
methyl 8-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 103022470
methyl 8-chloro-3-pentan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393660
methyl 8-chloro-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393648
methyl 8-chloro-3-(oxan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393575

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 105393608) is methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is COC(=O)c1cc(Cl)c2nnc(-c3cncc(O)c3)n2c1.
What is the InChIKey of methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is DOGLUULMVLTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O3/c1-21-13(20)8-3-10(14)12-17-16-11(18(12)6-8)7-2-9(19)5-15-4-7/h2-6,19H,1H3.
What are the key properties of methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 304.69 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-3-(5-hydroxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 105393608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).