4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid

C16H10N2O3 — CID 126667391

IUPAC4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2[nH]ccc2c1
InChIInChI=1S/C16H10N2O3/c17-8-9-5-11-3-4-18-15(11)13(6-9)10-1-2-12(16(20)21)14(19)7-10/h1-7,18-19H,(H,20,21)
InChIKeyYOJAFHZWYBMPHF-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.11
Rot. Bonds2

About 4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid

4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid (PubChem CID 126667391) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid
PubChem CID126667391
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2[nH]ccc2c1
InChIInChI=1S/C16H10N2O3/c17-8-9-5-11-3-4-18-15(11)13(6-9)10-1-2-12(16(20)21)14(19)7-10/h1-7,18-19H,(H,20,21)
InChIKeyYOJAFHZWYBMPHF-UHFFFAOYSA-N
XLogP3.11
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid (CID 126667391) is 4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid is N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2[nH]ccc2c1.
What is the InChIKey of 4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid?
The InChIKey is YOJAFHZWYBMPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c17-8-9-5-11-3-4-18-15(11)13(6-9)10-1-2-12(16(20)21)14(19)7-10/h1-7,18-19H,(H,20,21).
What are the key properties of 4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid?
4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid has a molecular weight of 278.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-1H-indol-7-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 126667391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).