2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile

C16H14N2O2 — CID 116862160

IUPAC2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc3c(c2)CCCC3)cc(=O)[nH]c1O
InChIInChI=1S/C16H14N2O2/c17-9-14-13(8-15(19)18-16(14)20)12-6-5-10-3-1-2-4-11(10)7-12/h5-8H,1-4H2,(H2,18,19,20)
InChIKeyZNPCSIUWXFJKEY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.50
Rot. Bonds1

About 2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile

2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile (PubChem CID 116862160) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
PubChem CID116862160
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc3c(c2)CCCC3)cc(=O)[nH]c1O
InChIInChI=1S/C16H14N2O2/c17-9-14-13(8-15(19)18-16(14)20)12-6-5-10-3-1-2-4-11(10)7-12/h5-8H,1-4H2,(H2,18,19,20)
InChIKeyZNPCSIUWXFJKEY-UHFFFAOYSA-N
XLogP2.50
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
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-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
CID 116862188
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-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-4-carboxylic acid
CID 82305504
3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenol
CID 167878538
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-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile (CID 116862160) is 2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccc3c(c2)CCCC3)cc(=O)[nH]c1O.
What is the InChIKey of 2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
The InChIKey is ZNPCSIUWXFJKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-9-14-13(8-15(19)18-16(14)20)12-6-5-10-3-1-2-4-11(10)7-12/h5-8H,1-4H2,(H2,18,19,20).
What are the key properties of 2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 116862160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).