5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine

C11H7ClF2N2O — CID 46317934

IUPAC5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine
SMILESFC(F)Oc1ncc(Cl)cc1-c1ccncc1
InChIInChI=1S/C11H7ClF2N2O/c12-8-5-9(7-1-3-15-4-2-7)10(16-6-8)17-11(13)14/h1-6,11H
InChIKeyAXKREVGPFDRUER-UHFFFAOYSA-N
MW256.64 g/mol
LogP3.40
Rot. Bonds3

About 5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine

5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine (PubChem CID 46317934) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine
PubChem CID46317934
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine
SMILESFC(F)Oc1ncc(Cl)cc1-c1ccncc1
InChIInChI=1S/C11H7ClF2N2O/c12-8-5-9(7-1-3-15-4-2-7)10(16-6-8)17-11(13)14/h1-6,11H
InChIKeyAXKREVGPFDRUER-UHFFFAOYSA-N
XLogP3.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine (CID 46317934) is 5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine is FC(F)Oc1ncc(Cl)cc1-c1ccncc1.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine?
The InChIKey is AXKREVGPFDRUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c12-8-5-9(7-1-3-15-4-2-7)10(16-6-8)17-11(13)14/h1-6,11H.
What are the key properties of 5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine?
5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine has a molecular weight of 256.64 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine is sourced from PubChem (CID 46317934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).