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

C18H9ClF6N4O3 — CID 167320443

IUPAC3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccnnc1)c1c(Oc2ccc(OC(F)(F)F)cc2)cnc(C(F)(F)F)c1Cl
InChIInChI=1S/C18H9ClF6N4O3/c19-14-13(16(30)29-9-5-6-27-28-7-9)12(8-26-15(14)17(20,21)22)31-10-1-3-11(4-2-10)32-18(23,24)25/h1-8H,(H,27,29,30)
InChIKeyBTJZAQOQQPOCHS-UHFFFAOYSA-N
MW478.74 g/mol
LogP5.49
Rot. Bonds5

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

3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 167320443) has the molecular formula C18H9ClF6N4O3 and a molecular weight of 478.74 g/mol. Its IUPAC name is 3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID167320443
Molecular FormulaC18H9ClF6N4O3
Molecular Weight478.74 g/mol
Exact Mass478.03
IUPAC Name3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccnnc1)c1c(Oc2ccc(OC(F)(F)F)cc2)cnc(C(F)(F)F)c1Cl
InChIInChI=1S/C18H9ClF6N4O3/c19-14-13(16(30)29-9-5-6-27-28-7-9)12(8-26-15(14)17(20,21)22)31-10-1-3-11(4-2-10)32-18(23,24)25/h1-8H,(H,27,29,30)
InChIKeyBTJZAQOQQPOCHS-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

N-pyridazin-4-yl-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 150069297
2-fluoro-3-methyl-N-(2-oxidopyridazin-2-ium-4-yl)-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 170241447
methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate
CID 137410960
3-bromo-2-fluoro-N-(2-oxidopyridazin-2-ium-4-yl)-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 167320496
N-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715
N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406324
N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 53493105
5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide
CID 154645430
4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523
N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410942
2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 141271002
N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 23633023

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 167320443) is 3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide is O=C(Nc1ccnnc1)c1c(Oc2ccc(OC(F)(F)F)cc2)cnc(C(F)(F)F)c1Cl.
What is the InChIKey of 3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is BTJZAQOQQPOCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF6N4O3/c19-14-13(16(30)29-9-5-6-27-28-7-9)12(8-26-15(14)17(20,21)22)31-10-1-3-11(4-2-10)32-18(23,24)25/h1-8H,(H,27,29,30).
What are the key properties of 3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide?
3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-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 3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 167320443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).