7-chloro-2H-2,6-naphthyridin-3-one

C8H5ClN2O — CID 138754785

IUPAC7-chloro-2H-2,6-naphthyridin-3-one
SMILESO=c1cc2cnc(Cl)cc2c[nH]1
InChIInChI=1S/C8H5ClN2O/c9-7-1-5-4-11-8(12)2-6(5)3-10-7/h1-4H,(H,11,12)
InChIKeyOTLSQRPSZQKHII-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.58
Rot. Bonds

About 7-chloro-2H-2,6-naphthyridin-3-one

7-chloro-2H-2,6-naphthyridin-3-one (PubChem CID 138754785) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 7-chloro-2H-2,6-naphthyridin-3-one.

Molecular Properties

Compound Name7-chloro-2H-2,6-naphthyridin-3-one
PubChem CID138754785
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name7-chloro-2H-2,6-naphthyridin-3-one
SMILESO=c1cc2cnc(Cl)cc2c[nH]1
InChIInChI=1S/C8H5ClN2O/c9-7-1-5-4-11-8(12)2-6(5)3-10-7/h1-4H,(H,11,12)
InChIKeyOTLSQRPSZQKHII-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 164969463
3-chloro-7-methyl-2,6-naphthyridine
CID 163219656
3-chloro-6,7-difluoroisoquinoline
CID 103351553
6-chloro-1H-1,7-naphthyridin-2-one
CID 15592373
4,6-dichloro-2H-2,7-naphthyridin-1-one
CID 134830487
6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135480525
3-chloroisoquinoline-7-sulfonyl chloride
CID 22017184
3-chloro-7-methylsulfanylisoquinoline
CID 171157638
6-chloropyrido[3,4-d]pyrimidine
CID 22727455
5-chloro-2H-isoquinolin-3-one
CID 67521260
3-chloro-7-methoxyisoquinoline
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2H-2,6-naphthyridin-3-one?
The IUPAC name of 7-chloro-2H-2,6-naphthyridin-3-one (CID 138754785) is 7-chloro-2H-2,6-naphthyridin-3-one.
What is the SMILES notation for 7-chloro-2H-2,6-naphthyridin-3-one?
The canonical SMILES for 7-chloro-2H-2,6-naphthyridin-3-one is O=c1cc2cnc(Cl)cc2c[nH]1.
What is the InChIKey of 7-chloro-2H-2,6-naphthyridin-3-one?
The InChIKey is OTLSQRPSZQKHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-7-1-5-4-11-8(12)2-6(5)3-10-7/h1-4H,(H,11,12).
What are the key properties of 7-chloro-2H-2,6-naphthyridin-3-one?
7-chloro-2H-2,6-naphthyridin-3-one has a molecular weight of 180.59 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2H-2,6-naphthyridin-3-one is sourced from PubChem (CID 138754785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).