2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile

C9H9N3O — CID 58155414

IUPAC2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCNC2
InChIInChI=1S/C9H9N3O/c10-4-6-3-7-5-11-2-1-8(7)12-9(6)13/h3,11H,1-2,5H2,(H,12,13)
InChIKeyGSVRQIWIPOMDRZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP-0.11
Rot. Bonds

About 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile

2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 58155414) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID58155414
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCNC2
InChIInChI=1S/C9H9N3O/c10-4-6-3-7-5-11-2-1-8(7)12-9(6)13/h3,11H,1-2,5H2,(H,12,13)
InChIKeyGSVRQIWIPOMDRZ-UHFFFAOYSA-N
XLogP-0.11
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile (CID 58155414) is 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2c([nH]c1=O)CCNC2.
What is the InChIKey of 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is GSVRQIWIPOMDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-4-6-3-7-5-11-2-1-8(7)12-9(6)13/h3,11H,1-2,5H2,(H,12,13).
What are the key properties of 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile?
2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 58155414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).