5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine

C16H8Cl2F3N3O — CID 118239303

IUPAC5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine
SMILESFC(F)(F)c1ccc(-c2c(Cl)cccc2Oc2ncc(Cl)cn2)nc1
InChIInChI=1S/C16H8Cl2F3N3O/c17-10-7-23-15(24-8-10)25-13-3-1-2-11(18)14(13)12-5-4-9(6-22-12)16(19,20)21/h1-8H
InChIKeyHCGVIHFNFCKTCD-UHFFFAOYSA-N
MW386.16 g/mol
LogP5.66
Rot. Bonds3

About 5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine

5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine (PubChem CID 118239303) has the molecular formula C16H8Cl2F3N3O and a molecular weight of 386.16 g/mol. Its IUPAC name is 5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine
PubChem CID118239303
Molecular FormulaC16H8Cl2F3N3O
Molecular Weight386.16 g/mol
Exact Mass385.00
IUPAC Name5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine
SMILESFC(F)(F)c1ccc(-c2c(Cl)cccc2Oc2ncc(Cl)cn2)nc1
InChIInChI=1S/C16H8Cl2F3N3O/c17-10-7-23-15(24-8-10)25-13-3-1-2-11(18)14(13)12-5-4-9(6-22-12)16(19,20)21/h1-8H
InChIKeyHCGVIHFNFCKTCD-UHFFFAOYSA-N
XLogP5.66
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.16
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine?
The IUPAC name of 5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine (CID 118239303) is 5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine.
What is the SMILES notation for 5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine?
The canonical SMILES for 5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine is FC(F)(F)c1ccc(-c2c(Cl)cccc2Oc2ncc(Cl)cn2)nc1.
What is the InChIKey of 5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine?
The InChIKey is HCGVIHFNFCKTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F3N3O/c17-10-7-23-15(24-8-10)25-13-3-1-2-11(18)14(13)12-5-4-9(6-22-12)16(19,20)21/h1-8H.
What are the key properties of 5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine?
5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine has a molecular weight of 386.16 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrimidine is sourced from PubChem (CID 118239303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).