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

C16H10N2O3 — CID 46931655

IUPAC4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)n2ccccc12
InChIInChI=1S/C16H10N2O3/c17-9-11-7-14(18-6-2-1-3-13(11)18)10-4-5-12(16(20)21)15(19)8-10/h1-8,19H,(H,20,21)
InChIKeyFJAVJMJZPIABLH-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.88
Rot. Bonds2

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

4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid (PubChem CID 46931655) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid
PubChem CID46931655
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)n2ccccc12
InChIInChI=1S/C16H10N2O3/c17-9-11-7-14(18-6-2-1-3-13(11)18)10-4-5-12(16(20)21)15(19)8-10/h1-8,19H,(H,20,21)
InChIKeyFJAVJMJZPIABLH-UHFFFAOYSA-N
XLogP2.88
TPSA85.73 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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-tert-butyl-1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid
CID 58056628
1-cyanoindolizine-3-carboxylic acid
CID 10888656
4-(4-cyano-5-phenylthiophen-2-yl)-2-hydroxybenzoic acid
CID 45376371
4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid
CID 58437243
4-(1-aminoindolizin-3-yl)-2-nitrosobenzoic acid
CID 88571394
4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid
CID 58437277
methyl 1-cyanoindolizine-3-carboxylate
CID 11127276
4-(5-cyanopyrrolo[1,2-b]pyridazin-7-yl)benzoic acid
CID 56949438
4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid
CID 126667384
2-hydroxy-4-naphthalen-2-ylbenzoic acid
CID 53226801
4-(2,6-dicyano-1-methylindol-4-yl)-2-hydroxybenzoic acid
CID 126667595
5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid
CID 53220200

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid (CID 46931655) is 4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid is N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)n2ccccc12.
What is the InChIKey of 4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid?
The InChIKey is FJAVJMJZPIABLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c17-9-11-7-14(18-6-2-1-3-13(11)18)10-4-5-12(16(20)21)15(19)8-10/h1-8,19H,(H,20,21).
What are the key properties of 4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid?
4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid has a molecular weight of 278.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 46931655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).