2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide

C18H9ClF6N4O3 — CID 151579165

IUPAC2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cncnc1)c1cc(C(F)(F)F)cnc1Oc1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C18H9ClF6N4O3/c19-13-4-11(32-18(23,24)25)1-2-14(13)31-16-12(3-9(5-28-16)17(20,21)22)15(30)29-10-6-26-8-27-7-10/h1-8H,(H,29,30)
InChIKeyQGCMLJVNVAJMLU-UHFFFAOYSA-N
MW478.74 g/mol
LogP5.49
Rot. Bonds5

About 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide

2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 151579165) has the molecular formula C18H9ClF6N4O3 and a molecular weight of 478.74 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID151579165
Molecular FormulaC18H9ClF6N4O3
Molecular Weight478.74 g/mol
Exact Mass478.03
IUPAC Name2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cncnc1)c1cc(C(F)(F)F)cnc1Oc1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C18H9ClF6N4O3/c19-13-4-11(32-18(23,24)25)1-2-14(13)31-16-12(3-9(5-28-16)17(20,21)22)15(30)29-10-6-26-8-27-7-10/h1-8H,(H,29,30)
InChIKeyQGCMLJVNVAJMLU-UHFFFAOYSA-N
XLogP5.49
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.74
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151376738
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151756936
2-(2-chloro-4-methoxyphenoxy)-N-(1-oxidopyridin-1-ium-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151322450
N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 150069297
N-(1-hydroxypyridin-1-ium-3-yl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 170241955
4,5-dichloro-2-[2-(deuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-ylbenzamide
CID 170632923
2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175125142
N-(3-methylsulfonylphenyl)-2-[3-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167197826
4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 147206874
N-(3-methylsulfonylphenyl)-2-phenoxy-5-(trifluoromethyl)pyridine-3-carboxamide
CID 150197509
2-(1-chloroisoquinolin-4-yl)oxy-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167198789
3,5-dichloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-hydroxybenzamide
CID 10116535

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide (CID 151579165) is 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1cncnc1)c1cc(C(F)(F)F)cnc1Oc1ccc(OC(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QGCMLJVNVAJMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF6N4O3/c19-13-4-11(32-18(23,24)25)1-2-14(13)31-16-12(3-9(5-28-16)17(20,21)22)15(30)29-10-6-26-8-27-7-10/h1-8H,(H,29,30).
What are the key properties of 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide?
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 478.74 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 151579165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).