6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one

C8H3Cl2N3O3 — CID 175866851

IUPAC6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one
SMILESO=c1c([N+](=O)[O-])c[nH]c2nc(Cl)c(Cl)cc12
InChIInChI=1S/C8H3Cl2N3O3/c9-4-1-3-6(14)5(13(15)16)2-11-8(3)12-7(4)10/h1-2H,(H,11,12,14)
InChIKeyBKKYCKUPMBUBGU-UHFFFAOYSA-N
MW260.04 g/mol
LogP2.14
Rot. Bonds1

About 6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one

6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one (PubChem CID 175866851) has the molecular formula C8H3Cl2N3O3 and a molecular weight of 260.04 g/mol. Its IUPAC name is 6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one
PubChem CID175866851
Molecular FormulaC8H3Cl2N3O3
Molecular Weight260.04 g/mol
Exact Mass258.96
IUPAC Name6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one
SMILESO=c1c([N+](=O)[O-])c[nH]c2nc(Cl)c(Cl)cc12
InChIInChI=1S/C8H3Cl2N3O3/c9-4-1-3-6(14)5(13(15)16)2-11-8(3)12-7(4)10/h1-2H,(H,11,12,14)
InChIKeyBKKYCKUPMBUBGU-UHFFFAOYSA-N
XLogP2.14
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one
CID 156713395
5,6-dichloro-3-nitropyridin-2-amine
CID 15392047
7-bromo-6-chloro-3-nitro-8-(1,2,2-trifluoroethoxy)-1H-quinolin-4-one
CID 175506359
5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 131031894
5-chloro-3-nitro-1H-quinolin-4-one
CID 131861739
6-chloro-3-nitro-1H-quinolin-4-one;4,6-dichloro-3-nitroquinoline
CID 158162895
5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
CID 53412730
2-chloro-5-nitro-1H-pyridine-4-thione
CID 150605541
7-(2-chloroethoxy)-6-methoxy-3-nitro-1H-quinolin-4-one
CID 164853282
6-(4-chloro-1,2-dihydroxybutyl)-3-nitro-1H-quinolin-4-one
CID 171894817
1-(6-chloro-4-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 130062797
7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione
CID 118703417

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one (CID 175866851) is 6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one is O=c1c([N+](=O)[O-])c[nH]c2nc(Cl)c(Cl)cc12.
What is the InChIKey of 6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one?
The InChIKey is BKKYCKUPMBUBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N3O3/c9-4-1-3-6(14)5(13(15)16)2-11-8(3)12-7(4)10/h1-2H,(H,11,12,14).
What are the key properties of 6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one?
6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one has a molecular weight of 260.04 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 175866851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).