4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine

C15H8Cl3N3O2 — CID 22711992

IUPAC4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine
SMILESCc1cc(Cl)c2c([N+](=O)[O-])cnc(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C15H8Cl3N3O2/c1-7-4-11(18)13-12(21(22)23)6-19-14(15(13)20-7)9-3-2-8(16)5-10(9)17/h2-6H,1H3
InChIKeyPBUNNDITARZMOM-UHFFFAOYSA-N
MW368.61 g/mol
LogP5.47
Rot. Bonds2

About 4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine

4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine (PubChem CID 22711992) has the molecular formula C15H8Cl3N3O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine.

Molecular Properties

Compound Name4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine
PubChem CID22711992
Molecular FormulaC15H8Cl3N3O2
Molecular Weight368.61 g/mol
Exact Mass366.97
IUPAC Name4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine
SMILESCc1cc(Cl)c2c([N+](=O)[O-])cnc(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C15H8Cl3N3O2/c1-7-4-11(18)13-12(21(22)23)6-19-14(15(13)20-7)9-3-2-8(16)5-10(9)17/h2-6H,1H3
InChIKeyPBUNNDITARZMOM-UHFFFAOYSA-N
XLogP5.47
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dichlorophenyl)-5-methyl-3-nitropyridine
CID 118819253
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
6-chloro-4-(2-chlorophenyl)-8-methyl-3-nitroquinoline
CID 15035210
5-(2,4-dichlorophenyl)-4-nitro-1-phenylpyrazole
CID 15041521
3-(2,4-dichlorophenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
CID 19326503
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
2-(2,4-dichlorophenyl)-3-nitrothiophene
CID 46210613
2-(2-chlorophenyl)-4-methyl-5-nitropyridine
CID 166436309
5-(4-chloro-2-nitrophenyl)-1-methyltetrazole
CID 117063952
5,6-dichloro-2-methyl-8-nitroquinoline
CID 138490128
1-N-[2-[[6-(2,4-dichlorophenyl)-5-nitropyrazin-2-yl]amino]ethyl]-4-nitrobenzene-1,3-diamine
CID 22318513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine?
The IUPAC name of 4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine (CID 22711992) is 4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine.
What is the SMILES notation for 4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine?
The canonical SMILES for 4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine is Cc1cc(Cl)c2c([N+](=O)[O-])cnc(-c3ccc(Cl)cc3Cl)c2n1.
What is the InChIKey of 4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine?
The InChIKey is PBUNNDITARZMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3N3O2/c1-7-4-11(18)13-12(21(22)23)6-19-14(15(13)20-7)9-3-2-8(16)5-10(9)17/h2-6H,1H3.
What are the key properties of 4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine?
4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine has a molecular weight of 368.61 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-(2,4-dichlorophenyl)-2-methyl-5-nitro-1,7-naphthyridine is sourced from PubChem (CID 22711992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).