2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine

C16H11Cl2N3O2 — CID 18974756

IUPAC2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine
SMILESClc1cc(OCc2cccc(Oc3ccnc(Cl)c3)n2)ccn1
InChIInChI=1S/C16H11Cl2N3O2/c17-14-8-12(4-6-19-14)22-10-11-2-1-3-16(21-11)23-13-5-7-20-15(18)9-13/h1-9H,10H2
InChIKeyRVGTWCOLDQWOED-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.55
Rot. Bonds5

About 2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine

2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine (PubChem CID 18974756) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine
PubChem CID18974756
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine
SMILESClc1cc(OCc2cccc(Oc3ccnc(Cl)c3)n2)ccn1
InChIInChI=1S/C16H11Cl2N3O2/c17-14-8-12(4-6-19-14)22-10-11-2-1-3-16(21-11)23-13-5-7-20-15(18)9-13/h1-9H,10H2
InChIKeyRVGTWCOLDQWOED-UHFFFAOYSA-N
XLogP4.55
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine?
The IUPAC name of 2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine (CID 18974756) is 2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine is Clc1cc(OCc2cccc(Oc3ccnc(Cl)c3)n2)ccn1.
What is the InChIKey of 2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine?
The InChIKey is RVGTWCOLDQWOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c17-14-8-12(4-6-19-14)22-10-11-2-1-3-16(21-11)23-13-5-7-20-15(18)9-13/h1-9H,10H2.
What are the key properties of 2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine?
2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine has a molecular weight of 348.19 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 18974756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).