(2,6-dichloroquinolin-3-yl)methanol

C10H7Cl2NO — CID 10680826

IUPAC(2,6-dichloroquinolin-3-yl)methanol
SMILESOCc1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C10H7Cl2NO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-4,14H,5H2
InChIKeyRGVUMJRZROPQIV-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.03
Rot. Bonds1

About (2,6-dichloroquinolin-3-yl)methanol

(2,6-dichloroquinolin-3-yl)methanol (PubChem CID 10680826) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is (2,6-dichloroquinolin-3-yl)methanol.

Molecular Properties

Compound Name(2,6-dichloroquinolin-3-yl)methanol
PubChem CID10680826
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name(2,6-dichloroquinolin-3-yl)methanol
SMILESOCc1cc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C10H7Cl2NO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-4,14H,5H2
InChIKeyRGVUMJRZROPQIV-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloroquinolin-3-yl)methanol?
The IUPAC name of (2,6-dichloroquinolin-3-yl)methanol (CID 10680826) is (2,6-dichloroquinolin-3-yl)methanol.
What is the SMILES notation for (2,6-dichloroquinolin-3-yl)methanol?
The canonical SMILES for (2,6-dichloroquinolin-3-yl)methanol is OCc1cc2cc(Cl)ccc2nc1Cl.
What is the InChIKey of (2,6-dichloroquinolin-3-yl)methanol?
The InChIKey is RGVUMJRZROPQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-4,14H,5H2.
What are the key properties of (2,6-dichloroquinolin-3-yl)methanol?
(2,6-dichloroquinolin-3-yl)methanol has a molecular weight of 228.08 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloroquinolin-3-yl)methanol is sourced from PubChem (CID 10680826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).