4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid

C13H8ClN3O2 — CID 122458585

IUPAC4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid
SMILESO=C(O)c1ncc2c(cnn2-c2ccccc2)c1Cl
InChIInChI=1S/C13H8ClN3O2/c14-11-9-6-16-17(8-4-2-1-3-5-8)10(9)7-15-12(11)13(18)19/h1-7H,(H,18,19)
InChIKeyDCIDWAYPPZBUJS-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.77
Rot. Bonds2

About 4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid

4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid (PubChem CID 122458585) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid
PubChem CID122458585
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid
SMILESO=C(O)c1ncc2c(cnn2-c2ccccc2)c1Cl
InChIInChI=1S/C13H8ClN3O2/c14-11-9-6-16-17(8-4-2-1-3-5-8)10(9)7-15-12(11)13(18)19/h1-7H,(H,18,19)
InChIKeyDCIDWAYPPZBUJS-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid?
The IUPAC name of 4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid (CID 122458585) is 4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid?
The canonical SMILES for 4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid is O=C(O)c1ncc2c(cnn2-c2ccccc2)c1Cl.
What is the InChIKey of 4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid?
The InChIKey is DCIDWAYPPZBUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-11-9-6-16-17(8-4-2-1-3-5-8)10(9)7-15-12(11)13(18)19/h1-7H,(H,18,19).
What are the key properties of 4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid?
4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 122458585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).