(2-methyl-5-nitroquinolin-6-yl)methanol

C11H10N2O3 — CID 58506618

IUPAC(2-methyl-5-nitroquinolin-6-yl)methanol
SMILESCc1ccc2c([N+](=O)[O-])c(CO)ccc2n1
InChIInChI=1S/C11H10N2O3/c1-7-2-4-9-10(12-7)5-3-8(6-14)11(9)13(15)16/h2-5,14H,6H2,1H3
InChIKeyIYLJXXGAOCBLCO-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.94
Rot. Bonds2

About (2-methyl-5-nitroquinolin-6-yl)methanol

(2-methyl-5-nitroquinolin-6-yl)methanol (PubChem CID 58506618) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2-methyl-5-nitroquinolin-6-yl)methanol.

Molecular Properties

Compound Name(2-methyl-5-nitroquinolin-6-yl)methanol
PubChem CID58506618
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(2-methyl-5-nitroquinolin-6-yl)methanol
SMILESCc1ccc2c([N+](=O)[O-])c(CO)ccc2n1
InChIInChI=1S/C11H10N2O3/c1-7-2-4-9-10(12-7)5-3-8(6-14)11(9)13(15)16/h2-5,14H,6H2,1H3
InChIKeyIYLJXXGAOCBLCO-UHFFFAOYSA-N
XLogP1.94
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2-methyl-5-nitroquinolin-6-yl)methanol?
The IUPAC name of (2-methyl-5-nitroquinolin-6-yl)methanol (CID 58506618) is (2-methyl-5-nitroquinolin-6-yl)methanol.
What is the SMILES notation for (2-methyl-5-nitroquinolin-6-yl)methanol?
The canonical SMILES for (2-methyl-5-nitroquinolin-6-yl)methanol is Cc1ccc2c([N+](=O)[O-])c(CO)ccc2n1.
What is the InChIKey of (2-methyl-5-nitroquinolin-6-yl)methanol?
The InChIKey is IYLJXXGAOCBLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-2-4-9-10(12-7)5-3-8(6-14)11(9)13(15)16/h2-5,14H,6H2,1H3.
What are the key properties of (2-methyl-5-nitroquinolin-6-yl)methanol?
(2-methyl-5-nitroquinolin-6-yl)methanol has a molecular weight of 218.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-nitroquinolin-6-yl)methanol is sourced from PubChem (CID 58506618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).