3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid

C11H12ClN3O3 — CID 177381483

IUPAC3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid
SMILESCCOc1nc(Cl)cc2nn(CCC(=O)O)cc12
InChIInChI=1S/C11H12ClN3O3/c1-2-18-11-7-6-15(4-3-10(16)17)14-8(7)5-9(12)13-11/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyOGRAUAMWPNHZPU-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.96
Rot. Bonds5

About 3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid

3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid (PubChem CID 177381483) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid
PubChem CID177381483
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid
SMILESCCOc1nc(Cl)cc2nn(CCC(=O)O)cc12
InChIInChI=1S/C11H12ClN3O3/c1-2-18-11-7-6-15(4-3-10(16)17)14-8(7)5-9(12)13-11/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyOGRAUAMWPNHZPU-UHFFFAOYSA-N
XLogP1.96
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 175944886
4-(6-Chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 175944887
2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid
CID 175944889
6-Chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 175944890
2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)-N-hydroxyacetamide
CID 175944893
4-(6-Chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 175944896
6-Chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine
CID 175944897
4-[6-Chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid
CID 175944898
2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)ethanol
CID 175944899
2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)ethanol
CID 175944904
6-Chloro-4-ethoxy-1-(3-methoxyphenyl)pyrazolo[4,3-c]pyridine
CID 175944905
6-Chloro-4-ethoxy-2-(3-methoxyphenyl)pyrazolo[4,3-c]pyridine
CID 175944908

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid (CID 177381483) is 3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid is CCOc1nc(Cl)cc2nn(CCC(=O)O)cc12.
What is the InChIKey of 3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid?
The InChIKey is OGRAUAMWPNHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c1-2-18-11-7-6-15(4-3-10(16)17)14-8(7)5-9(12)13-11/h5-6H,2-4H2,1H3,(H,16,17).
What are the key properties of 3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid?
3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid has a molecular weight of 269.69 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 177381483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).