5,8-dibromo-4-chloro-3-nitroquinoline

C9H3Br2ClN2O2 — CID 102614186

IUPAC5,8-dibromo-4-chloro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2c(Br)ccc(Br)c2c1Cl
InChIInChI=1S/C9H3Br2ClN2O2/c10-4-1-2-5(11)9-7(4)8(12)6(3-13-9)14(15)16/h1-3H
InChIKeyKTYCMRCQETXCIX-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.32
Rot. Bonds1

About 5,8-dibromo-4-chloro-3-nitroquinoline

5,8-dibromo-4-chloro-3-nitroquinoline (PubChem CID 102614186) has the molecular formula C9H3Br2ClN2O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5,8-dibromo-4-chloro-3-nitroquinoline.

Molecular Properties

Compound Name5,8-dibromo-4-chloro-3-nitroquinoline
PubChem CID102614186
Molecular FormulaC9H3Br2ClN2O2
Molecular Weight366.40 g/mol
Exact Mass363.82
IUPAC Name5,8-dibromo-4-chloro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2c(Br)ccc(Br)c2c1Cl
InChIInChI=1S/C9H3Br2ClN2O2/c10-4-1-2-5(11)9-7(4)8(12)6(3-13-9)14(15)16/h1-3H
InChIKeyKTYCMRCQETXCIX-UHFFFAOYSA-N
XLogP4.32
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.32
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

6-bromo-4-chloro-5,8-difluoro-3-nitroquinoline
CID 107615385
6-bromo-4,8-dichloro-3-nitroquinoline
CID 102614066
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
8-bromo-4-methyl-3-nitroquinoline
CID 131886009
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 126970309
1-bromo-2-chloro-3-nitrobenzene
CID 22736053
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
4-chloro-3-nitroquinoline;ethane
CID 90799881
4-bromo-2-(difluoromethyl)-5-nitropyridine
CID 118811909
6-bromo-2-chloro-3-nitrobenzenesulfonyl chloride
CID 172969836
3-chloro-2-iodo-4-nitropyridine
CID 131142975

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-4-chloro-3-nitroquinoline?
The IUPAC name of 5,8-dibromo-4-chloro-3-nitroquinoline (CID 102614186) is 5,8-dibromo-4-chloro-3-nitroquinoline.
What is the SMILES notation for 5,8-dibromo-4-chloro-3-nitroquinoline?
The canonical SMILES for 5,8-dibromo-4-chloro-3-nitroquinoline is O=[N+]([O-])c1cnc2c(Br)ccc(Br)c2c1Cl.
What is the InChIKey of 5,8-dibromo-4-chloro-3-nitroquinoline?
The InChIKey is KTYCMRCQETXCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br2ClN2O2/c10-4-1-2-5(11)9-7(4)8(12)6(3-13-9)14(15)16/h1-3H.
What are the key properties of 5,8-dibromo-4-chloro-3-nitroquinoline?
5,8-dibromo-4-chloro-3-nitroquinoline has a molecular weight of 366.40 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-4-chloro-3-nitroquinoline is sourced from PubChem (CID 102614186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).