6-bromo-4-(bromomethyl)-3-nitroquinoline

C10H6Br2N2O2 — CID 138454031

IUPAC6-bromo-4-(bromomethyl)-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccc(Br)cc2c1CBr
InChIInChI=1S/C10H6Br2N2O2/c11-4-8-7-3-6(12)1-2-9(7)13-5-10(8)14(15)16/h1-3,5H,4H2
InChIKeyQNPWQQKJJUMSQA-UHFFFAOYSA-N
MW345.98 g/mol
LogP3.80
Rot. Bonds2

About 6-bromo-4-(bromomethyl)-3-nitroquinoline

6-bromo-4-(bromomethyl)-3-nitroquinoline (PubChem CID 138454031) has the molecular formula C10H6Br2N2O2 and a molecular weight of 345.98 g/mol. Its IUPAC name is 6-bromo-4-(bromomethyl)-3-nitroquinoline.

Molecular Properties

Compound Name6-bromo-4-(bromomethyl)-3-nitroquinoline
PubChem CID138454031
Molecular FormulaC10H6Br2N2O2
Molecular Weight345.98 g/mol
Exact Mass343.88
IUPAC Name6-bromo-4-(bromomethyl)-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccc(Br)cc2c1CBr
InChIInChI=1S/C10H6Br2N2O2/c11-4-8-7-3-6(12)1-2-9(7)13-5-10(8)14(15)16/h1-3,5H,4H2
InChIKeyQNPWQQKJJUMSQA-UHFFFAOYSA-N
XLogP3.80
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.98
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-(6-bromo-3-nitroquinolin-4-yl)acetic acid
CID 104571308
6-bromo-4-(2-chloro-3,3-dimethylbutyl)-3-nitroquinoline
CID 63530544
2-(6-bromo-3-nitroquinolin-4-yl)-1-cyclopropylethanamine
CID 63353378
1-(6-bromo-3-nitroquinolin-4-yl)-N-ethylpropan-2-amine
CID 63200163
1-(6-bromo-3-nitroquinolin-4-yl)-N-propylpropan-2-amine
CID 63200316
1-N-(6-bromo-3-nitroquinolin-4-yl)cyclopropane-1,2-diamine
CID 43621528
3-(6-bromo-3-nitroquinolin-4-yl)butan-2-ol
CID 55161443
N-(6-bromo-3-nitroquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664666
1-(6-bromo-3-nitroquinolin-4-yl)azetidin-3-amine
CID 65249523
2-[(6-bromo-3-nitroquinolin-4-yl)amino]propanoic acid
CID 43621517
6-bromo-3-nitro-4-(pyrrolidin-2-ylmethoxy)quinoline
CID 62348341
6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 118077827

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(bromomethyl)-3-nitroquinoline?
The IUPAC name of 6-bromo-4-(bromomethyl)-3-nitroquinoline (CID 138454031) is 6-bromo-4-(bromomethyl)-3-nitroquinoline.
What is the SMILES notation for 6-bromo-4-(bromomethyl)-3-nitroquinoline?
The canonical SMILES for 6-bromo-4-(bromomethyl)-3-nitroquinoline is O=[N+]([O-])c1cnc2ccc(Br)cc2c1CBr.
What is the InChIKey of 6-bromo-4-(bromomethyl)-3-nitroquinoline?
The InChIKey is QNPWQQKJJUMSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2O2/c11-4-8-7-3-6(12)1-2-9(7)13-5-10(8)14(15)16/h1-3,5H,4H2.
What are the key properties of 6-bromo-4-(bromomethyl)-3-nitroquinoline?
6-bromo-4-(bromomethyl)-3-nitroquinoline has a molecular weight of 345.98 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(bromomethyl)-3-nitroquinoline is sourced from PubChem (CID 138454031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).