3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline

C15H10Cl2N2O — CID 107387690

IUPAC3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
SMILESClCc1cc(Oc2cnc3ccccc3c2)ncc1Cl
InChIInChI=1S/C15H10Cl2N2O/c16-7-11-6-15(19-9-13(11)17)20-12-5-10-3-1-2-4-14(10)18-8-12/h1-6,8-9H,7H2
InChIKeyYSTYLOUNPZEAAF-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.81
Rot. Bonds3

About 3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline

3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline (PubChem CID 107387690) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline.

Molecular Properties

Compound Name3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
PubChem CID107387690
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
SMILESClCc1cc(Oc2cnc3ccccc3c2)ncc1Cl
InChIInChI=1S/C15H10Cl2N2O/c16-7-11-6-15(19-9-13(11)17)20-12-5-10-3-1-2-4-14(10)18-8-12/h1-6,8-9H,7H2
InChIKeyYSTYLOUNPZEAAF-UHFFFAOYSA-N
XLogP4.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-quinolin-3-yloxy-4-pyridinyl)methanol
CID 107387669
3-[[6-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387696
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584
5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
CID 114921271
3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
CID 107387701
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
CID 114921193
5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 114921355
8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 114921266
1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387496
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline?
The IUPAC name of 3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline (CID 107387690) is 3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline.
What is the SMILES notation for 3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline?
The canonical SMILES for 3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline is ClCc1cc(Oc2cnc3ccccc3c2)ncc1Cl.
What is the InChIKey of 3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline?
The InChIKey is YSTYLOUNPZEAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-7-11-6-15(19-9-13(11)17)20-12-5-10-3-1-2-4-14(10)18-8-12/h1-6,8-9H,7H2.
What are the key properties of 3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline?
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline has a molecular weight of 305.16 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline is sourced from PubChem (CID 107387690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).