6-methyl-2-(nitromethyl)quinoline

C11H10N2O2 — CID 119082068

IUPAC6-methyl-2-(nitromethyl)quinoline
SMILESCc1ccc2nc(C[N+](=O)[O-])ccc2c1
InChIInChI=1S/C11H10N2O2/c1-8-2-5-11-9(6-8)3-4-10(12-11)7-13(14)15/h2-6H,7H2,1H3
InChIKeyVSRBTLMLFWOCHS-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.32
Rot. Bonds2

About 6-methyl-2-(nitromethyl)quinoline

6-methyl-2-(nitromethyl)quinoline (PubChem CID 119082068) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 6-methyl-2-(nitromethyl)quinoline.

Molecular Properties

Compound Name6-methyl-2-(nitromethyl)quinoline
PubChem CID119082068
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name6-methyl-2-(nitromethyl)quinoline
SMILESCc1ccc2nc(C[N+](=O)[O-])ccc2c1
InChIInChI=1S/C11H10N2O2/c1-8-2-5-11-9(6-8)3-4-10(12-11)7-13(14)15/h2-6H,7H2,1H3
InChIKeyVSRBTLMLFWOCHS-UHFFFAOYSA-N
XLogP2.32
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(nitromethyl)quinoline?
The IUPAC name of 6-methyl-2-(nitromethyl)quinoline (CID 119082068) is 6-methyl-2-(nitromethyl)quinoline.
What is the SMILES notation for 6-methyl-2-(nitromethyl)quinoline?
The canonical SMILES for 6-methyl-2-(nitromethyl)quinoline is Cc1ccc2nc(C[N+](=O)[O-])ccc2c1.
What is the InChIKey of 6-methyl-2-(nitromethyl)quinoline?
The InChIKey is VSRBTLMLFWOCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-2-5-11-9(6-8)3-4-10(12-11)7-13(14)15/h2-6H,7H2,1H3.
What are the key properties of 6-methyl-2-(nitromethyl)quinoline?
6-methyl-2-(nitromethyl)quinoline has a molecular weight of 202.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(nitromethyl)quinoline is sourced from PubChem (CID 119082068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).