2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid

C10H10ClN3O3 — CID 175944889

IUPAC2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid
SMILESCCOc1nc(Cl)cc2c1cnn2CC(=O)O
InChIInChI=1S/C10H10ClN3O3/c1-2-17-10-6-4-12-14(5-9(15)16)7(6)3-8(11)13-10/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyDKXPPSSMFRVZFR-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.57
Rot. Bonds4

About 2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid

2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid (PubChem CID 175944889) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid
PubChem CID175944889
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid
SMILESCCOc1nc(Cl)cc2c1cnn2CC(=O)O
InChIInChI=1S/C10H10ClN3O3/c1-2-17-10-6-4-12-14(5-9(15)16)7(6)3-8(11)13-10/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyDKXPPSSMFRVZFR-UHFFFAOYSA-N
XLogP1.57
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid (CID 175944889) is 2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid is CCOc1nc(Cl)cc2c1cnn2CC(=O)O.
What is the InChIKey of 2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid?
The InChIKey is DKXPPSSMFRVZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c1-2-17-10-6-4-12-14(5-9(15)16)7(6)3-8(11)13-10/h3-4H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid?
2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid has a molecular weight of 255.66 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid is sourced from PubChem (CID 175944889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).