3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde

C9H9FN2O — CID 169158407

IUPAC3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde
SMILESO=CN1CCc2ncc(F)cc2C1
InChIInChI=1S/C9H9FN2O/c10-8-3-7-5-12(6-13)2-1-9(7)11-4-8/h3-4,6H,1-2,5H2
InChIKeyOVLGDFCXXBHOBK-UHFFFAOYSA-N
MW180.18 g/mol
LogP0.74
Rot. Bonds1

About 3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde

3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde (PubChem CID 169158407) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde
PubChem CID169158407
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde
SMILESO=CN1CCc2ncc(F)cc2C1
InChIInChI=1S/C9H9FN2O/c10-8-3-7-5-12(6-13)2-1-9(7)11-4-8/h3-4,6H,1-2,5H2
InChIKeyOVLGDFCXXBHOBK-UHFFFAOYSA-N
XLogP0.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-Formylanatabine
CID 14241041
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-pentyl-
CID 3058693
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-(2-propenyl)-
CID 3058694
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-(3-butenyl)-
CID 3058695
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-hexyl-
CID 3058698
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-heptyl-
CID 3058699
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-(3-methylbutyl)-
CID 3058700
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-(cyclopropylmethyl)-
CID 3058702
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-(cyclobutylmethyl)-
CID 3058703
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-(phenylmethyl)-
CID 3058713
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-(2-phenylethyl)-
CID 3059175
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-(3-phenyl-2-propenyl)-
CID 6447454

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde?
The IUPAC name of 3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde (CID 169158407) is 3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde.
What is the SMILES notation for 3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde?
The canonical SMILES for 3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde is O=CN1CCc2ncc(F)cc2C1.
What is the InChIKey of 3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde?
The InChIKey is OVLGDFCXXBHOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c10-8-3-7-5-12(6-13)2-1-9(7)11-4-8/h3-4,6H,1-2,5H2.
What are the key properties of 3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde?
3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde has a molecular weight of 180.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde is sourced from PubChem (CID 169158407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).