4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid

C17H9N3O3 — CID 58437206

IUPAC4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid
SMILESN#Cc1ccc2c(c1)c(C#N)cn2-c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C17H9N3O3/c18-7-10-1-4-15-14(5-10)11(8-19)9-20(15)12-2-3-13(17(22)23)16(21)6-12/h1-6,9,21H,(H,22,23)
InChIKeyWBJUVLDVJWIELU-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.78
Rot. Bonds2

About 4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid

4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid (PubChem CID 58437206) has the molecular formula C17H9N3O3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid
PubChem CID58437206
Molecular FormulaC17H9N3O3
Molecular Weight303.28 g/mol
Exact Mass303.06
IUPAC Name4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid
SMILESN#Cc1ccc2c(c1)c(C#N)cn2-c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C17H9N3O3/c18-7-10-1-4-15-14(5-10)11(8-19)9-20(15)12-2-3-13(17(22)23)16(21)6-12/h1-6,9,21H,(H,22,23)
InChIKeyWBJUVLDVJWIELU-UHFFFAOYSA-N
XLogP2.78
TPSA110.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid (CID 58437206) is 4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid is N#Cc1ccc2c(c1)c(C#N)cn2-c1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid?
The InChIKey is WBJUVLDVJWIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9N3O3/c18-7-10-1-4-15-14(5-10)11(8-19)9-20(15)12-2-3-13(17(22)23)16(21)6-12/h1-6,9,21H,(H,22,23).
What are the key properties of 4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid?
4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid has a molecular weight of 303.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dicyanoindol-1-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 58437206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).