4-(3-cyanoindazol-1-yl)benzoic acid

C15H9N3O2 — CID 16678790

IUPAC4-(3-cyanoindazol-1-yl)benzoic acid
SMILESN#Cc1nn(-c2ccc(C(=O)O)cc2)c2ccccc12
InChIInChI=1S/C15H9N3O2/c16-9-13-12-3-1-2-4-14(12)18(17-13)11-7-5-10(6-8-11)15(19)20/h1-8H,(H,19,20)
InChIKeyRUZPXXOGMKZGTN-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.60
Rot. Bonds2

About 4-(3-cyanoindazol-1-yl)benzoic acid

4-(3-cyanoindazol-1-yl)benzoic acid (PubChem CID 16678790) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-(3-cyanoindazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-cyanoindazol-1-yl)benzoic acid
PubChem CID16678790
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name4-(3-cyanoindazol-1-yl)benzoic acid
SMILESN#Cc1nn(-c2ccc(C(=O)O)cc2)c2ccccc12
InChIInChI=1S/C15H9N3O2/c16-9-13-12-3-1-2-4-14(12)18(17-13)11-7-5-10(6-8-11)15(19)20/h1-8H,(H,19,20)
InChIKeyRUZPXXOGMKZGTN-UHFFFAOYSA-N
XLogP2.60
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoindazol-1-yl)benzoic acid?
The IUPAC name of 4-(3-cyanoindazol-1-yl)benzoic acid (CID 16678790) is 4-(3-cyanoindazol-1-yl)benzoic acid.
What is the SMILES notation for 4-(3-cyanoindazol-1-yl)benzoic acid?
The canonical SMILES for 4-(3-cyanoindazol-1-yl)benzoic acid is N#Cc1nn(-c2ccc(C(=O)O)cc2)c2ccccc12.
What is the InChIKey of 4-(3-cyanoindazol-1-yl)benzoic acid?
The InChIKey is RUZPXXOGMKZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c16-9-13-12-3-1-2-4-14(12)18(17-13)11-7-5-10(6-8-11)15(19)20/h1-8H,(H,19,20).
What are the key properties of 4-(3-cyanoindazol-1-yl)benzoic acid?
4-(3-cyanoindazol-1-yl)benzoic acid has a molecular weight of 263.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoindazol-1-yl)benzoic acid is sourced from PubChem (CID 16678790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).