2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine

C10H5ClF3N3O — CID 56793824

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C10H5ClF3N3O/c11-6-3-7(5-15-4-6)18-9-16-2-1-8(17-9)10(12,13)14/h1-5H
InChIKeyAHLSSYNUPMRADV-UHFFFAOYSA-N
MW275.62 g/mol
LogP3.34
Rot. Bonds2

About 2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine

2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine (PubChem CID 56793824) has the molecular formula C10H5ClF3N3O and a molecular weight of 275.62 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine
PubChem CID56793824
Molecular FormulaC10H5ClF3N3O
Molecular Weight275.62 g/mol
Exact Mass275.01
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2cncc(Cl)c2)n1
InChIInChI=1S/C10H5ClF3N3O/c11-6-3-7(5-15-4-6)18-9-16-2-1-8(17-9)10(12,13)14/h1-5H
InChIKeyAHLSSYNUPMRADV-UHFFFAOYSA-N
XLogP3.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.62
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine (CID 56793824) is 2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(Oc2cncc(Cl)c2)n1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine?
The InChIKey is AHLSSYNUPMRADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3O/c11-6-3-7(5-15-4-6)18-9-16-2-1-8(17-9)10(12,13)14/h1-5H.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine?
2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine has a molecular weight of 275.62 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56793824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).