5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde

C9H10N2O — CID 131153081

IUPAC5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde
SMILESO=CC1NCCc2ncccc21
InChIInChI=1S/C9H10N2O/c12-6-9-7-2-1-4-10-8(7)3-5-11-9/h1-2,4,6,9,11H,3,5H2
InChIKeyUDAONQGLWUURFJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.47
Rot. Bonds1

About 5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde

5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde (PubChem CID 131153081) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde
PubChem CID131153081
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde
SMILESO=CC1NCCc2ncccc21
InChIInChI=1S/C9H10N2O/c12-6-9-7-2-1-4-10-8(7)3-5-11-9/h1-2,4,6,9,11H,3,5H2
InChIKeyUDAONQGLWUURFJ-UHFFFAOYSA-N
XLogP0.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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(3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde
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4-[4-(5,6,7,8-tetrahydro-1,6-naphthyridin-5-ylmethyl)phenyl]aniline
CID 15471910
5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron
CID 174663782
5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
CID 147578197
6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol
CID 155004666
1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde
CID 158019694
(2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
CID 11147878
9-chloro-2,3,4,5-tetrahydro-1,4-benzothiazepine-5-carbaldehyde
CID 175047550
(2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride
CID 66588869
(5S)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-ol
CID 138752407

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde?
The IUPAC name of 5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde (CID 131153081) is 5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde.
What is the SMILES notation for 5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde?
The canonical SMILES for 5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde is O=CC1NCCc2ncccc21.
What is the InChIKey of 5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde?
The InChIKey is UDAONQGLWUURFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-6-9-7-2-1-4-10-8(7)3-5-11-9/h1-2,4,6,9,11H,3,5H2.
What are the key properties of 5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde?
5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde is sourced from PubChem (CID 131153081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).