4-chloro-3-nitroquinoline

C9H5ClN2O2 — CID 11275808

IUPAC4-chloro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccccc2c1Cl
InChIInChI=1S/C9H5ClN2O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H
InChIKeyZRFUZDDJSQVQBY-UHFFFAOYSA-N
MW208.60 g/mol
LogP2.80
Rot. Bonds1

About 4-chloro-3-nitroquinoline

4-chloro-3-nitroquinoline (PubChem CID 11275808) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 4-chloro-3-nitroquinoline.

Molecular Properties

Compound Name4-chloro-3-nitroquinoline
PubChem CID11275808
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name4-chloro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccccc2c1Cl
InChIInChI=1S/C9H5ClN2O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H
InChIKeyZRFUZDDJSQVQBY-UHFFFAOYSA-N
XLogP2.80
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitroquinoline?
The IUPAC name of 4-chloro-3-nitroquinoline (CID 11275808) is 4-chloro-3-nitroquinoline.
What is the SMILES notation for 4-chloro-3-nitroquinoline?
The canonical SMILES for 4-chloro-3-nitroquinoline is O=[N+]([O-])c1cnc2ccccc2c1Cl.
What is the InChIKey of 4-chloro-3-nitroquinoline?
The InChIKey is ZRFUZDDJSQVQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H.
What are the key properties of 4-chloro-3-nitroquinoline?
4-chloro-3-nitroquinoline has a molecular weight of 208.60 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitroquinoline is sourced from PubChem (CID 11275808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).