2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine

C14H13ClF2N2O2 — CID 177235481

IUPAC2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine
SMILESCOCc1cnc(Cl)cc1-c1cc(C(F)F)ncc1OC
InChIInChI=1S/C14H13ClF2N2O2/c1-20-7-8-5-19-13(15)4-9(8)10-3-11(14(16)17)18-6-12(10)21-2/h3-6,14H,7H2,1-2H3
InChIKeyDGAJCHTWFMOLGA-UHFFFAOYSA-N
MW314.72 g/mol
LogP3.89
Rot. Bonds5

About 2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine

2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine (PubChem CID 177235481) has the molecular formula C14H13ClF2N2O2 and a molecular weight of 314.72 g/mol. Its IUPAC name is 2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine
PubChem CID177235481
Molecular FormulaC14H13ClF2N2O2
Molecular Weight314.72 g/mol
Exact Mass314.06
IUPAC Name2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine
SMILESCOCc1cnc(Cl)cc1-c1cc(C(F)F)ncc1OC
InChIInChI=1S/C14H13ClF2N2O2/c1-20-7-8-5-19-13(15)4-9(8)10-3-11(14(16)17)18-6-12(10)21-2/h3-6,14H,7H2,1-2H3
InChIKeyDGAJCHTWFMOLGA-UHFFFAOYSA-N
XLogP3.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine?
The IUPAC name of 2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine (CID 177235481) is 2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine?
The canonical SMILES for 2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine is COCc1cnc(Cl)cc1-c1cc(C(F)F)ncc1OC.
What is the InChIKey of 2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine?
The InChIKey is DGAJCHTWFMOLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O2/c1-20-7-8-5-19-13(15)4-9(8)10-3-11(14(16)17)18-6-12(10)21-2/h3-6,14H,7H2,1-2H3.
What are the key properties of 2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine?
2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine has a molecular weight of 314.72 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-5-(methoxymethyl)pyridine is sourced from PubChem (CID 177235481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).