7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile

C15H11N3O3 — CID 67052860

IUPAC7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
SMILESCOc1ccc(-n2ccc3[nH]c(=O)c(C#N)c(O)c32)cc1
InChIInChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-7-6-12-13(18)14(19)11(8-16)15(20)17-12/h2-7H,1H3,(H2,17,19,20)
InChIKeyJTAYAVSESOUIIJ-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.90
Rot. Bonds2

About 7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile

7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile (PubChem CID 67052860) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
PubChem CID67052860
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
SMILESCOc1ccc(-n2ccc3[nH]c(=O)c(C#N)c(O)c32)cc1
InChIInChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-7-6-12-13(18)14(19)11(8-16)15(20)17-12/h2-7H,1H3,(H2,17,19,20)
InChIKeyJTAYAVSESOUIIJ-UHFFFAOYSA-N
XLogP1.90
TPSA91.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 67052929
3-[4-(6-cyano-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridin-1-yl)phenyl]-2-hydroxybenzoic acid
CID 67052849
2-chloro-1-[4-(2-chloro-4-methoxyphenyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 54727519
1-(4-methoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 608339
1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 123621243
1-(4-acetylphenyl)-2-chloro-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 54727480
6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120081
6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 134987165
2-(4-methoxyphenyl)-3,6-dioxo-5,7-dihydropyrrolo[2,3-c]pyridazine-4-carbonitrile
CID 4244151
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
8-methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 24970539
4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 154993307

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile (CID 67052860) is 7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile is COc1ccc(-n2ccc3[nH]c(=O)c(C#N)c(O)c32)cc1.
What is the InChIKey of 7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The InChIKey is JTAYAVSESOUIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-7-6-12-13(18)14(19)11(8-16)15(20)17-12/h2-7H,1H3,(H2,17,19,20).
What are the key properties of 7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile has a molecular weight of 281.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 67052860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).