4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid

C16H10N2O3 — CID 58437243

IUPAC4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccccc12
InChIInChI=1S/C16H10N2O3/c17-8-10-9-18(14-4-2-1-3-12(10)14)11-5-6-13(16(20)21)15(19)7-11/h1-7,9,19H,(H,20,21)
InChIKeyWLHVIKYUGAMKMS-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.91
Rot. Bonds2

About 4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid

4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid (PubChem CID 58437243) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid
PubChem CID58437243
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccccc12
InChIInChI=1S/C16H10N2O3/c17-8-10-9-18(14-4-2-1-3-12(10)14)11-5-6-13(16(20)21)15(19)7-11/h1-7,9,19H,(H,20,21)
InChIKeyWLHVIKYUGAMKMS-UHFFFAOYSA-N
XLogP2.91
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyanoindol-1-yl)-2-hydroxybenzamide
CID 141458608
4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid
CID 58437277
4-(3-cyano-5-fluoroindol-1-yl)-2-hydroxybenzoic acid
CID 25020793
4-(3-cyanoindol-1-yl)-2-methoxybenzoic acid
CID 58437505
4-(3-cyano-5-hydroxy-6-methylindol-1-yl)-2-hydroxybenzoic acid
CID 58437302
4-[3-cyano-6-(3-hydroxypropoxy)indol-1-yl]-2-hydroxybenzoic acid
CID 58437404
4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid
CID 71532209
[4-(3-cyanoindol-1-yl)phenyl]methyl-methylcarbamic acid
CID 139388369
4-(3-amino-4-cyano-2-methoxycarbonylpyrrol-1-yl)-2-hydroxybenzoic acid
CID 168511718
ethyl 4-(3-cyano-5,6-difluoroindol-1-yl)-2-hydroxybenzoate
CID 58437226
4-(3-cyano-6-fluoro-5-hydroxyindol-1-yl)benzoic acid
CID 58437488
4-(3-cyanopyrrol-1-yl)-2-hydroxybenzoic acid
CID 59477772

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid (CID 58437243) is 4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid is N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccccc12.
What is the InChIKey of 4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid?
The InChIKey is WLHVIKYUGAMKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c17-8-10-9-18(14-4-2-1-3-12(10)14)11-5-6-13(16(20)21)15(19)7-11/h1-7,9,19H,(H,20,21).
What are the key properties of 4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid?
4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid has a molecular weight of 278.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 58437243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).