2-chloro-3-(2-nitrophenyl)quinoline

C15H9ClN2O2 — CID 167354575

IUPAC2-chloro-3-(2-nitrophenyl)quinoline
SMILESO=[N+]([O-])c1ccccc1-c1cc2ccccc2nc1Cl
InChIInChI=1S/C15H9ClN2O2/c16-15-12(9-10-5-1-3-7-13(10)17-15)11-6-2-4-8-14(11)18(19)20/h1-9H
InChIKeyFOZZZZROCRUNSQ-UHFFFAOYSA-N
MW284.70 g/mol
LogP4.46
Rot. Bonds2

About 2-chloro-3-(2-nitrophenyl)quinoline

2-chloro-3-(2-nitrophenyl)quinoline (PubChem CID 167354575) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-chloro-3-(2-nitrophenyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-(2-nitrophenyl)quinoline
PubChem CID167354575
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name2-chloro-3-(2-nitrophenyl)quinoline
SMILESO=[N+]([O-])c1ccccc1-c1cc2ccccc2nc1Cl
InChIInChI=1S/C15H9ClN2O2/c16-15-12(9-10-5-1-3-7-13(10)17-15)11-6-2-4-8-14(11)18(19)20/h1-9H
InChIKeyFOZZZZROCRUNSQ-UHFFFAOYSA-N
XLogP4.46
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2-chloro-3-(2-methoxyphenyl)quinoline
CID 13200184
2,5-dichloro-3-(2-nitrophenyl)thiophene
CID 125484560
2-nitroquinolin-3-amine
CID 19034749
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole
CID 134103285
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
2-(2-nitrophenyl)naphthalen-1-amine
CID 91493820
2-(2-nitrophenyl)-1-benzothiophene
CID 14912770
1,2,3-trifluoro-4-(2-nitrophenyl)benzene
CID 141419715
5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid
CID 90258661

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-nitrophenyl)quinoline?
The IUPAC name of 2-chloro-3-(2-nitrophenyl)quinoline (CID 167354575) is 2-chloro-3-(2-nitrophenyl)quinoline.
What is the SMILES notation for 2-chloro-3-(2-nitrophenyl)quinoline?
The canonical SMILES for 2-chloro-3-(2-nitrophenyl)quinoline is O=[N+]([O-])c1ccccc1-c1cc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-(2-nitrophenyl)quinoline?
The InChIKey is FOZZZZROCRUNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-15-12(9-10-5-1-3-7-13(10)17-15)11-6-2-4-8-14(11)18(19)20/h1-9H.
What are the key properties of 2-chloro-3-(2-nitrophenyl)quinoline?
2-chloro-3-(2-nitrophenyl)quinoline has a molecular weight of 284.70 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-nitrophenyl)quinoline is sourced from PubChem (CID 167354575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).