2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile

C10H7N3O2 — CID 116862188

IUPAC2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc[nH]c2)cc(=O)[nH]c1O
InChIInChI=1S/C10H7N3O2/c11-4-8-7(6-1-2-12-5-6)3-9(14)13-10(8)15/h1-3,5,12H,(H2,13,14,15)
InChIKeyXPBOEJVTMMVIEE-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.95
Rot. Bonds1

About 2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile

2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile (PubChem CID 116862188) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
PubChem CID116862188
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc[nH]c2)cc(=O)[nH]c1O
InChIInChI=1S/C10H7N3O2/c11-4-8-7(6-1-2-12-5-6)3-9(14)13-10(8)15/h1-3,5,12H,(H2,13,14,15)
InChIKeyXPBOEJVTMMVIEE-UHFFFAOYSA-N
XLogP0.95
TPSA92.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 13403846
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 116862156
2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
CID 116862160
2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 116862214
4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862222
4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862206
2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
CID 121227406
4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862217
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 159463245
2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
CID 72711414
2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile
CID 82468114
4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862220

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile (CID 116862188) is 2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cc[nH]c2)cc(=O)[nH]c1O.
What is the InChIKey of 2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile?
The InChIKey is XPBOEJVTMMVIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c11-4-8-7(6-1-2-12-5-6)3-9(14)13-10(8)15/h1-3,5,12H,(H2,13,14,15).
What are the key properties of 2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile?
2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile has a molecular weight of 201.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 116862188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).