5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron

C9H9N2O+ — CID 174663782

IUPAC5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron
SMILESO=CC1NC=Cc2ncccc21.[H+]
InChIInChI=1S/C9H8N2O/c12-6-9-7-2-1-4-10-8(7)3-5-11-9/h1-6,9,11H/p+1
InChIKeyXHRFHTMNCZLQCD-UHFFFAOYSA-O
MW161.18 g/mol
LogP1.01
Rot. Bonds1

About 5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron

5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron (PubChem CID 174663782) has the molecular formula C9H9N2O+ and a molecular weight of 161.18 g/mol. Its IUPAC name is 5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron.

Molecular Properties

Compound Name5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron
PubChem CID174663782
Molecular FormulaC9H9N2O+
Molecular Weight161.18 g/mol
Exact Mass161.07
IUPAC Name5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron
SMILESO=CC1NC=Cc2ncccc21.[H+]
InChIInChI=1S/C9H8N2O/c12-6-9-7-2-1-4-10-8(7)3-5-11-9/h1-6,9,11H/p+1
InChIKeyXHRFHTMNCZLQCD-UHFFFAOYSA-O
XLogP1.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.01
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

5,6,7,8-tetrahydro-1,6-naphthyridine-5-carbaldehyde
CID 131153081
5H-cyclohepta[b]pyridin-5-ol
CID 123855749
7H-pyrido[2,3-d]azepine;dihydrochloride
CID 158778136
(5S)-5-methyl-5H-cyclohepta[b]pyridine
CID 143833793
5,6-dihydroquinolin-5-ol
CID 45079815
1,4-dihydro-1,8-naphthyridin-4-ol
CID 174253048
(5S,6R)-5,6-dideuterioquinoline-5,6-diol
CID 100921923
(5R,6R)-5,6-dideuterioquinoline-5,6-diol
CID 10607125
3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89143858
quinoline;5H-tetrazole-5-carbaldehyde
CID 174296767
1a,7b-dideuteriooxireno[2,3-f]quinoline
CID 100921913
5,6,7,8-tetrahydroquinoline-5-carbaldehyde
CID 174393645

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron?
The IUPAC name of 5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron (CID 174663782) is 5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron.
What is the SMILES notation for 5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron?
The canonical SMILES for 5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron is O=CC1NC=Cc2ncccc21.[H+].
What is the InChIKey of 5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron?
The InChIKey is XHRFHTMNCZLQCD-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8N2O/c12-6-9-7-2-1-4-10-8(7)3-5-11-9/h1-6,9,11H/p+1.
What are the key properties of 5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron?
5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron has a molecular weight of 161.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron is sourced from PubChem (CID 174663782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).