3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid

C19H12N2O3 — CID 11631073

IUPAC3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid
SMILESNc1nc(-c2ccccc2)c2c(c1C(=O)O)-c1ccccc1C2=O
InChIInChI=1S/C19H12N2O3/c20-18-15(19(23)24)13-11-8-4-5-9-12(11)17(22)14(13)16(21-18)10-6-2-1-3-7-10/h1-9H,(H2,20,21)(H,23,24)
InChIKeyYQPIANBEGXLAIZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.24
Rot. Bonds2

About 3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid

3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid (PubChem CID 11631073) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid
PubChem CID11631073
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid
SMILESNc1nc(-c2ccccc2)c2c(c1C(=O)O)-c1ccccc1C2=O
InChIInChI=1S/C19H12N2O3/c20-18-15(19(23)24)13-11-8-4-5-9-12(11)17(22)14(13)16(21-18)10-6-2-1-3-7-10/h1-9H,(H2,20,21)(H,23,24)
InChIKeyYQPIANBEGXLAIZ-UHFFFAOYSA-N
XLogP3.24
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminoazulene-1-carboxylic acid
CID 139642161
3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one
CID 949215
5-aminoindeno[2,1-c]isoquinolin-7-one
CID 24853150
1-amino-4-methyl-9,10-dioxoanthracene-2,3-dicarboxylic acid
CID 23132582
2-amino-6-(4-amino-9,10-dioxoanthracen-1-yl)benzoic acid
CID 154123925
2-(dimethylamino)ethyl 3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carboxylate
CID 10249011
3-[2-[4-[2-(2,3-dicarboxy-4,5,6-triphenylphenyl)phenyl]phenyl]phenyl]-4,5,6-triphenylphthalic acid
CID 175738927
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
3-amino-1-(furan-3-yl)-9-oxoindeno[2,1-c]pyridine-4-carbonitrile
CID 11601677
tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid
CID 67709035
9-oxo-1,4-diphenylfluorene-3-carboxylic acid
CID 141295557
2-amino-5-ethyl-4-phenylquinoline-3-carboxylic acid
CID 69016709

Frequently Asked Questions

What is the IUPAC name of 3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid (CID 11631073) is 3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid is Nc1nc(-c2ccccc2)c2c(c1C(=O)O)-c1ccccc1C2=O.
What is the InChIKey of 3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid?
The InChIKey is YQPIANBEGXLAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c20-18-15(19(23)24)13-11-8-4-5-9-12(11)17(22)14(13)16(21-18)10-6-2-1-3-7-10/h1-9H,(H2,20,21)(H,23,24).
What are the key properties of 3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid?
3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 11631073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).