methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate

C24H18ClN5O8 — CID 159234404

IUPACmethyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(O)ccc12.COC(=O)c1cnn2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12
InChIInChI=1S/C15H10ClN3O5.C9H8N2O3/c1-23-15(20)11-7-17-18-8-10(3-4-13(11)18)24-14-5-2-9(19(21)22)6-12(14)16;1-14-9(13)7-4-10-11-5-6(12)2-3-8(7)11/h2-8H,1H3;2-5,12H,1H3
InChIKeyKTHHLEWKUWQOQW-UHFFFAOYSA-N
MW539.89 g/mol
LogP4.30
Rot. Bonds5

About methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate

methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 159234404) has the molecular formula C24H18ClN5O8 and a molecular weight of 539.89 g/mol. Its IUPAC name is methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID159234404
Molecular FormulaC24H18ClN5O8
Molecular Weight539.89 g/mol
Exact Mass539.08
IUPAC Namemethyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(O)ccc12.COC(=O)c1cnn2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12
InChIInChI=1S/C15H10ClN3O5.C9H8N2O3/c1-23-15(20)11-7-17-18-8-10(3-4-13(11)18)24-14-5-2-9(19(21)22)6-12(14)16;1-14-9(13)7-4-10-11-5-6(12)2-3-8(7)11/h2-8H,1H3;2-5,12H,1H3
InChIKeyKTHHLEWKUWQOQW-UHFFFAOYSA-N
XLogP4.30
TPSA159.80 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.89
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate
CID 86626630
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
methyl 4-chloro-2-(2-chloro-4-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61057861
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 118661482
methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 154561873
2-[4-(2-chloro-4-nitrophenoxy)phenoxy]propanoic acid
CID 70626116
2-bromo-4-(2-chloro-4-nitrophenoxy)benzoic acid
CID 107282520
(2-chloro-4-nitrophenyl) acetate
CID 14345185
4-(2-chloro-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 66437146
methyl 5-(2-fluoro-4-nitrophenoxy)-2-nitrobenzoate
CID 133302543
methyl 5-nitro-2-(2-phenylpyrimidin-5-yl)oxybenzoate
CID 39009082

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate (CID 159234404) is methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2cc(O)ccc12.COC(=O)c1cnn2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12.
What is the InChIKey of methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is KTHHLEWKUWQOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O5.C9H8N2O3/c1-23-15(20)11-7-17-18-8-10(3-4-13(11)18)24-14-5-2-9(19(21)22)6-12(14)16;1-14-9(13)7-4-10-11-5-6(12)2-3-8(7)11/h2-8H,1H3;2-5,12H,1H3.
What are the key properties of methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 539.89 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 159234404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).