4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine

C12H8ClF2NO — CID 46317964

IUPAC4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine
SMILESFC(F)Oc1cc(-c2ccncc2)ccc1Cl
InChIInChI=1S/C12H8ClF2NO/c13-10-2-1-9(7-11(10)17-12(14)15)8-3-5-16-6-4-8/h1-7,12H
InChIKeyRMTDFXAINQNNGM-UHFFFAOYSA-N
MW255.65 g/mol
LogP4.00
Rot. Bonds3

About 4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine

4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine (PubChem CID 46317964) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine
PubChem CID46317964
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine
SMILESFC(F)Oc1cc(-c2ccncc2)ccc1Cl
InChIInChI=1S/C12H8ClF2NO/c13-10-2-1-9(7-11(10)17-12(14)15)8-3-5-16-6-4-8/h1-7,12H
InChIKeyRMTDFXAINQNNGM-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine?
The IUPAC name of 4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine (CID 46317964) is 4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine?
The canonical SMILES for 4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine is FC(F)Oc1cc(-c2ccncc2)ccc1Cl.
What is the InChIKey of 4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine?
The InChIKey is RMTDFXAINQNNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-10-2-1-9(7-11(10)17-12(14)15)8-3-5-16-6-4-8/h1-7,12H.
What are the key properties of 4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine?
4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine has a molecular weight of 255.65 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 46317964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).