1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde

C9H10N2O — CID 158019694

IUPAC1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde
SMILESO=CC1CNc2cccnc2C1
InChIInChI=1S/C9H10N2O/c12-6-7-4-9-8(11-5-7)2-1-3-10-9/h1-3,6-7,11H,4-5H2
InChIKeyFFXHNCBVKBZEQK-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.86
Rot. Bonds1

About 1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde

1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde (PubChem CID 158019694) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde
PubChem CID158019694
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde
SMILESO=CC1CNc2cccnc2C1
InChIInChI=1S/C9H10N2O/c12-6-7-4-9-8(11-5-7)2-1-3-10-9/h1-3,6-7,11H,4-5H2
InChIKeyFFXHNCBVKBZEQK-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
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

2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 140922627
molecular hydrogen;(3S)-5-oxopyrrolidine-3-carbaldehyde
CID 143745892
1,4-dihydro-1,5-naphthyridine-2,3-dione
CID 58564731
1,2,3,4-tetrahydro-1,5-naphthyridine
CID 6917495
2-oxo-3,4-dihydro-1H-1,5-naphthyridine-3-carboxamide
CID 141006823
5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde
CID 131153081
2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-3-ol
CID 166482608
2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-3-amine
CID 89200794
3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
CID 16752034
5,6,7,8-tetrahydroquinoline-5-carbaldehyde
CID 174393645
2-propan-2-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 163258093
2-azabicyclo[4.1.0]hepta-1(6),2,4-triene;formic acid
CID 174744482

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde?
The IUPAC name of 1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde (CID 158019694) is 1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde?
The canonical SMILES for 1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde is O=CC1CNc2cccnc2C1.
What is the InChIKey of 1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde?
The InChIKey is FFXHNCBVKBZEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-6-7-4-9-8(11-5-7)2-1-3-10-9/h1-3,6-7,11H,4-5H2.
What are the key properties of 1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde?
1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 158019694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).