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

C12H7ClF3N — CID 620912

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(-c2ccncc2)ccc1Cl
InChIInChI=1S/C12H7ClF3N/c13-11-2-1-9(7-10(11)12(14,15)16)8-3-5-17-6-4-8/h1-7H
InChIKeySGGZDKAYRANKNV-UHFFFAOYSA-N
MW257.64 g/mol
LogP4.42
Rot. Bonds1

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

4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine (PubChem CID 620912) has the molecular formula C12H7ClF3N and a molecular weight of 257.64 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
PubChem CID620912
Molecular FormulaC12H7ClF3N
Molecular Weight257.64 g/mol
Exact Mass257.02
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(-c2ccncc2)ccc1Cl
InChIInChI=1S/C12H7ClF3N/c13-11-2-1-9(7-10(11)12(14,15)16)8-3-5-17-6-4-8/h1-7H
InChIKeySGGZDKAYRANKNV-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine (CID 620912) is 4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(-c2ccncc2)ccc1Cl.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is SGGZDKAYRANKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N/c13-11-2-1-9(7-10(11)12(14,15)16)8-3-5-17-6-4-8/h1-7H.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine?
4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 257.64 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 620912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).