4-cyanoindole-1-carboxylic acid

C10H6N2O2 — CID 67420400

IUPAC4-cyanoindole-1-carboxylic acid
SMILESN#Cc1cccc2c1ccn2C(=O)O
InChIInChI=1S/C10H6N2O2/c11-6-7-2-1-3-9-8(7)4-5-12(9)10(13)14/h1-5H,(H,13,14)
InChIKeyUVUDVUQFRSLRQB-UHFFFAOYSA-N
MW186.17 g/mol
LogP2.04
Rot. Bonds

About 4-cyanoindole-1-carboxylic acid

4-cyanoindole-1-carboxylic acid (PubChem CID 67420400) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 4-cyanoindole-1-carboxylic acid.

Molecular Properties

Compound Name4-cyanoindole-1-carboxylic acid
PubChem CID67420400
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name4-cyanoindole-1-carboxylic acid
SMILESN#Cc1cccc2c1ccn2C(=O)O
InChIInChI=1S/C10H6N2O2/c11-6-7-2-1-3-9-8(7)4-5-12(9)10(13)14/h1-5H,(H,13,14)
InChIKeyUVUDVUQFRSLRQB-UHFFFAOYSA-N
XLogP2.04
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyanoindole-1-carboxylic acid?
The IUPAC name of 4-cyanoindole-1-carboxylic acid (CID 67420400) is 4-cyanoindole-1-carboxylic acid.
What is the SMILES notation for 4-cyanoindole-1-carboxylic acid?
The canonical SMILES for 4-cyanoindole-1-carboxylic acid is N#Cc1cccc2c1ccn2C(=O)O.
What is the InChIKey of 4-cyanoindole-1-carboxylic acid?
The InChIKey is UVUDVUQFRSLRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c11-6-7-2-1-3-9-8(7)4-5-12(9)10(13)14/h1-5H,(H,13,14).
What are the key properties of 4-cyanoindole-1-carboxylic acid?
4-cyanoindole-1-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyanoindole-1-carboxylic acid is sourced from PubChem (CID 67420400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).