3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine

C12H5ClF6N2 — CID 20822476

IUPAC3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)c1ccnc(-c2nccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C12H5ClF6N2/c13-9-7(12(17,18)19)2-4-21-10(9)8-5-6(1-3-20-8)11(14,15)16/h1-5H
InChIKeyITYSXPSAVAKAON-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.83
Rot. Bonds1

About 3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine

3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine (PubChem CID 20822476) has the molecular formula C12H5ClF6N2 and a molecular weight of 326.63 g/mol. Its IUPAC name is 3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine
PubChem CID20822476
Molecular FormulaC12H5ClF6N2
Molecular Weight326.63 g/mol
Exact Mass326.00
IUPAC Name3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)c1ccnc(-c2nccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C12H5ClF6N2/c13-9-7(12(17,18)19)2-4-21-10(9)8-5-6(1-3-20-8)11(14,15)16/h1-5H
InChIKeyITYSXPSAVAKAON-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine?
The IUPAC name of 3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine (CID 20822476) is 3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine is FC(F)(F)c1ccnc(-c2nccc(C(F)(F)F)c2Cl)c1.
What is the InChIKey of 3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine?
The InChIKey is ITYSXPSAVAKAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF6N2/c13-9-7(12(17,18)19)2-4-21-10(9)8-5-6(1-3-20-8)11(14,15)16/h1-5H.
What are the key properties of 3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine?
3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine has a molecular weight of 326.63 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 20822476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).