7-chloro-3H-1,6-naphthyridin-4-one

C8H5ClN2O — CID 125306381

IUPAC7-chloro-3H-1,6-naphthyridin-4-one
SMILESO=C1CC=Nc2cc(Cl)ncc21
InChIInChI=1S/C8H5ClN2O/c9-8-3-6-5(4-11-8)7(12)1-2-10-6/h2-4H,1H2
InChIKeyALOWVVHQWWGMPY-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.02
Rot. Bonds

About 7-chloro-3H-1,6-naphthyridin-4-one

7-chloro-3H-1,6-naphthyridin-4-one (PubChem CID 125306381) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 7-chloro-3H-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-3H-1,6-naphthyridin-4-one
PubChem CID125306381
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name7-chloro-3H-1,6-naphthyridin-4-one
SMILESO=C1CC=Nc2cc(Cl)ncc21
InChIInChI=1S/C8H5ClN2O/c9-8-3-6-5(4-11-8)7(12)1-2-10-6/h2-4H,1H2
InChIKeyALOWVVHQWWGMPY-UHFFFAOYSA-N
XLogP2.02
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 118142930
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CID 86721918
7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one
CID 88921692
3-chloro-5-hydroxy-7-oxo-8H-isoquinoline-6-carbonitrile
CID 157327321
6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole
CID 161315738
2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole
CID 176885351
5-chloro-6-(trifluoromethyl)-3H-pyridin-4-one
CID 140978134
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine
CID 46220750
7-chloro-2H-2,6-naphthyridin-3-one
CID 138754785
6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one
CID 155691308
7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 55265376

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3H-1,6-naphthyridin-4-one?
The IUPAC name of 7-chloro-3H-1,6-naphthyridin-4-one (CID 125306381) is 7-chloro-3H-1,6-naphthyridin-4-one.
What is the SMILES notation for 7-chloro-3H-1,6-naphthyridin-4-one?
The canonical SMILES for 7-chloro-3H-1,6-naphthyridin-4-one is O=C1CC=Nc2cc(Cl)ncc21.
What is the InChIKey of 7-chloro-3H-1,6-naphthyridin-4-one?
The InChIKey is ALOWVVHQWWGMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8-3-6-5(4-11-8)7(12)1-2-10-6/h2-4H,1H2.
What are the key properties of 7-chloro-3H-1,6-naphthyridin-4-one?
7-chloro-3H-1,6-naphthyridin-4-one has a molecular weight of 180.59 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3H-1,6-naphthyridin-4-one is sourced from PubChem (CID 125306381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).