5,6-dichloro-2-methyl-8-nitroquinoline

C10H6Cl2N2O2 — CID 138490128

IUPAC5,6-dichloro-2-methyl-8-nitroquinoline
SMILESCc1ccc2c(Cl)c(Cl)cc([N+](=O)[O-])c2n1
InChIInChI=1S/C10H6Cl2N2O2/c1-5-2-3-6-9(12)7(11)4-8(14(15)16)10(6)13-5/h2-4H,1H3
InChIKeyKUTSQKLVNQRAJI-UHFFFAOYSA-N
MW257.08 g/mol
LogP3.76
Rot. Bonds1

About 5,6-dichloro-2-methyl-8-nitroquinoline

5,6-dichloro-2-methyl-8-nitroquinoline (PubChem CID 138490128) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 5,6-dichloro-2-methyl-8-nitroquinoline.

Molecular Properties

Compound Name5,6-dichloro-2-methyl-8-nitroquinoline
PubChem CID138490128
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name5,6-dichloro-2-methyl-8-nitroquinoline
SMILESCc1ccc2c(Cl)c(Cl)cc([N+](=O)[O-])c2n1
InChIInChI=1S/C10H6Cl2N2O2/c1-5-2-3-6-9(12)7(11)4-8(14(15)16)10(6)13-5/h2-4H,1H3
InChIKeyKUTSQKLVNQRAJI-UHFFFAOYSA-N
XLogP3.76
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 53.76
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

2-methyl-5-nitroquinolin-8-amine
CID 114289442
1,2-dichloro-4-nitronaphthalene
CID 154116604
(5,7-dichloro-2-methylquinolin-8-yl) 4-chloro-3-nitrobenzoate
CID 5129890
2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine
CID 12569053
2,4,8-trimethyl-7-nitroquinoline
CID 71342477
2,4-dimethyl-8-nitroquinoline
CID 608736
5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline
CID 630083
2,4-dimethyl-8,9-dinitrobenzo[h]quinoline
CID 21159480
4-chloro-6-methyl-8-nitroquinoline
CID 19592802
3,4-dichloro-8-nitroquinoline
CID 19592722
5-methyl-3-nitroselenopheno[3,2-b]pyridine
CID 23271138
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-methyl-8-nitroquinoline?
The IUPAC name of 5,6-dichloro-2-methyl-8-nitroquinoline (CID 138490128) is 5,6-dichloro-2-methyl-8-nitroquinoline.
What is the SMILES notation for 5,6-dichloro-2-methyl-8-nitroquinoline?
The canonical SMILES for 5,6-dichloro-2-methyl-8-nitroquinoline is Cc1ccc2c(Cl)c(Cl)cc([N+](=O)[O-])c2n1.
What is the InChIKey of 5,6-dichloro-2-methyl-8-nitroquinoline?
The InChIKey is KUTSQKLVNQRAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c1-5-2-3-6-9(12)7(11)4-8(14(15)16)10(6)13-5/h2-4H,1H3.
What are the key properties of 5,6-dichloro-2-methyl-8-nitroquinoline?
5,6-dichloro-2-methyl-8-nitroquinoline has a molecular weight of 257.08 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-methyl-8-nitroquinoline is sourced from PubChem (CID 138490128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).