4-chloro-5-nitroquinoline

C9H5ClN2O2 — CID 12582845

IUPAC4-chloro-5-nitroquinoline
SMILESO=[N+]([O-])c1cccc2nccc(Cl)c12
InChIInChI=1S/C9H5ClN2O2/c10-6-4-5-11-7-2-1-3-8(9(6)7)12(13)14/h1-5H
InChIKeyDWKLLQSQXXCSEW-UHFFFAOYSA-N
MW208.60 g/mol
LogP2.80
Rot. Bonds1

About 4-chloro-5-nitroquinoline

4-chloro-5-nitroquinoline (PubChem CID 12582845) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 4-chloro-5-nitroquinoline.

Molecular Properties

Compound Name4-chloro-5-nitroquinoline
PubChem CID12582845
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name4-chloro-5-nitroquinoline
SMILESO=[N+]([O-])c1cccc2nccc(Cl)c12
InChIInChI=1S/C9H5ClN2O2/c10-6-4-5-11-7-2-1-3-8(9(6)7)12(13)14/h1-5H
InChIKeyDWKLLQSQXXCSEW-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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Related Compounds

5-nitroquinolin-4-amine
CID 53439998
5-nitro-4-pyridin-3-ylquinoline
CID 175692098
N-ethyl-5-nitroquinoline-4-carboxamide
CID 22083866
N-methylmethanamine;5-nitro-N-propylquinolin-4-amine
CID 69400759
CID 88627944
CID 88627944
2-chloro-N-methyl-5-nitroquinazolin-4-amine
CID 114693051
4-chloro-5,8-dimethyl-6-nitroquinoline
CID 10537819
1,1'-biphenyl;5-nitroquinoxaline
CID 174497247
1,5,9-trinitrotriphenylene
CID 86227277
N,N-dimethyl-3-[(5-nitroquinolin-4-yl)amino]propan-1-amine oxide;chloride;hydrochloride
CID 54608931
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
3-chloro-4-nitro-1H-indole
CID 12049863

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-nitroquinoline?
The IUPAC name of 4-chloro-5-nitroquinoline (CID 12582845) is 4-chloro-5-nitroquinoline.
What is the SMILES notation for 4-chloro-5-nitroquinoline?
The canonical SMILES for 4-chloro-5-nitroquinoline is O=[N+]([O-])c1cccc2nccc(Cl)c12.
What is the InChIKey of 4-chloro-5-nitroquinoline?
The InChIKey is DWKLLQSQXXCSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-6-4-5-11-7-2-1-3-8(9(6)7)12(13)14/h1-5H.
What are the key properties of 4-chloro-5-nitroquinoline?
4-chloro-5-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-5-nitroquinoline is sourced from PubChem (CID 12582845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).