2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine

C10H5ClF3N3O — CID 133384156

IUPAC2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2ccc(Cl)nc2)n1
InChIInChI=1S/C10H5ClF3N3O/c11-8-2-1-6(5-16-8)18-9-15-4-3-7(17-9)10(12,13)14/h1-5H
InChIKeySHPXVSVPSNIPLB-UHFFFAOYSA-N
MW275.62 g/mol
LogP3.34
Rot. Bonds2

About 2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine

2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine (PubChem CID 133384156) has the molecular formula C10H5ClF3N3O and a molecular weight of 275.62 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine
PubChem CID133384156
Molecular FormulaC10H5ClF3N3O
Molecular Weight275.62 g/mol
Exact Mass275.01
IUPAC Name2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Oc2ccc(Cl)nc2)n1
InChIInChI=1S/C10H5ClF3N3O/c11-8-2-1-6(5-16-8)18-9-15-4-3-7(17-9)10(12,13)14/h1-5H
InChIKeySHPXVSVPSNIPLB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
CID 133384150
2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine
CID 172690256
[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
CID 64586060
2-chloro-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzoic acid
CID 106502835
2-[4-(benzenesulfonyl)phenoxy]-4-(trifluoromethyl)pyrimidine
CID 71891804
2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
CID 103202016
2-(5-bromo-2-chlorophenoxy)-4-(trifluoromethyl)pyrimidine
CID 64584499
2-[3-(1H-pyrazol-4-yl)phenoxy]-4-(trifluoromethyl)pyrimidine
CID 51106333
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzaldehyde
CID 122475629
1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine
CID 169385481
2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine
CID 31535269
2-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-4-(trifluoromethyl)pyrimidine
CID 140761254

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine (CID 133384156) is 2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(Oc2ccc(Cl)nc2)n1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine?
The InChIKey is SHPXVSVPSNIPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3O/c11-8-2-1-6(5-16-8)18-9-15-4-3-7(17-9)10(12,13)14/h1-5H.
What are the key properties of 2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine?
2-[(6-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-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 133384156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).