1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C19H13ClF3N3O2 — CID 149008699

IUPAC1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C19H13ClF3N3O2/c1-11-4-15(28-16-5-13(20)9-24-10-16)7-17(26-11)18(27)6-14-3-2-12(8-25-14)19(21,22)23/h2-5,7-10H,6H2,1H3
InChIKeyQBCHCDHMWANQHI-UHFFFAOYSA-N
MW407.78 g/mol
LogP5.07
Rot. Bonds5

About 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 149008699) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID149008699
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C19H13ClF3N3O2/c1-11-4-15(28-16-5-13(20)9-24-10-16)7-17(26-11)18(27)6-14-3-2-12(8-25-14)19(21,22)23/h2-5,7-10H,6H2,1H3
InChIKeyQBCHCDHMWANQHI-UHFFFAOYSA-N
XLogP5.07
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.78
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Related Compounds

5-((6-Chloropyridin-3-yl)methoxy)-4-(4-fluorophenyl)picolinamide
CID 122539712
(5-Chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate
CID 177378862
5-[(6-Methylpyridin-3-yl)methoxy]-4-[6-(trifluoromethyl)pyridin-3-yl]pyridine-2-carboxamide
CID 122539709
5'-(Pyridin-3-ylmethoxy)-6-(trifluoromethyl)[3,4'-bipyridine]-2'-carboxamide
CID 122539728
8-(2-Chloro-6-methoxyphenyl)-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one
CID 134807896
1-[4-Cyclopentyloxy-5-(difluoromethoxy)pyridin-2-yl]-2-(3,5-dichloropyridin-4-yl)ethanone
CID 22145680
Ethyl 6-[2-[2-[(2-chloro-6-fluorophenyl)methoxy]-5-(trifluoromethyl)pyridin-3-yl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 57862222
Ethyl 6-[2-[2-[(4-chlorophenyl)methoxy]-5-(trifluoromethyl)pyridin-3-yl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 57862268
6-[2-[2-[(4-Chlorophenyl)methoxy]-5-(trifluoromethyl)-3-pyridinyl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 57862291
Ethyl 6-[2-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-(trifluoromethyl)pyridin-3-yl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 57862735
Ethyl 6-[2-[2-[(2-chloro-4-fluorophenyl)methoxy]-5-(trifluoromethyl)pyridin-3-yl]cyclopenten-1-yl]pyridine-2-carboxylate
CID 57862786
(4S)-1-(6-chloro-5-fluoro-3-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 58255211

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 149008699) is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is QBCHCDHMWANQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c1-11-4-15(28-16-5-13(20)9-24-10-16)7-17(26-11)18(27)6-14-3-2-12(8-25-14)19(21,22)23/h2-5,7-10H,6H2,1H3.
What are the key properties of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 407.78 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 149008699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).