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

C9H10ClN3O — CID 91623813

IUPAC2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2c([nH]c1=O)CNCC2
InChIInChI=1S/C9H9N3O.ClH/c10-4-7-3-6-1-2-11-5-8(6)12-9(7)13;/h3,11H,1-2,5H2,(H,12,13);1H
InChIKeyPUIOWCMDQAPPHR-UHFFFAOYSA-N
MW211.65 g/mol
LogP0.31
Rot. Bonds

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

2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride (PubChem CID 91623813) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride
PubChem CID91623813
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2c([nH]c1=O)CNCC2
InChIInChI=1S/C9H9N3O.ClH/c10-4-7-3-6-1-2-11-5-8(6)12-9(7)13;/h3,11H,1-2,5H2,(H,12,13);1H
InChIKeyPUIOWCMDQAPPHR-UHFFFAOYSA-N
XLogP0.31
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 50.31
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-1,7-naphthyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride (CID 91623813) is 2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride is Cl.N#Cc1cc2c([nH]c1=O)CNCC2.
What is the InChIKey of 2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride?
The InChIKey is PUIOWCMDQAPPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.ClH/c10-4-7-3-6-1-2-11-5-8(6)12-9(7)13;/h3,11H,1-2,5H2,(H,12,13);1H.
What are the key properties of 2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride?
2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride has a molecular weight of 211.65 g/mol, XLogP of 0.31, 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-1,7-naphthyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 91623813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).