2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one

C17H7ClF7N3O — CID 137223799

IUPAC2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cn2)nc(-c2c(C(F)(F)F)ccc(Cl)c2F)[nH]1
InChIInChI=1S/C17H7ClF7N3O/c18-9-3-2-8(17(23,24)25)13(14(9)19)15-27-11(5-12(29)28-15)10-4-1-7(6-26-10)16(20,21)22/h1-6H,(H,27,28,29)
InChIKeyNQHNUCJMDCUUJP-UHFFFAOYSA-N
MW437.70 g/mol
LogP5.33
Rot. Bonds2

About 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one

2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137223799) has the molecular formula C17H7ClF7N3O and a molecular weight of 437.70 g/mol. Its IUPAC name is 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137223799
Molecular FormulaC17H7ClF7N3O
Molecular Weight437.70 g/mol
Exact Mass437.02
IUPAC Name2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cn2)nc(-c2c(C(F)(F)F)ccc(Cl)c2F)[nH]1
InChIInChI=1S/C17H7ClF7N3O/c18-9-3-2-8(17(23,24)25)13(14(9)19)15-27-11(5-12(29)28-15)10-4-1-7(6-26-10)16(20,21)22/h1-6H,(H,27,28,29)
InChIKeyNQHNUCJMDCUUJP-UHFFFAOYSA-N
XLogP5.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-fluoro-3-[6-oxo-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]benzamide
CID 170716537
5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909125
2-[3-(aminomethyl)-2-fluoro-6-(trifluoromethyl)phenyl]-4-(difluoromethyl)-1H-pyrimidin-6-one
CID 170716432
2-[3-(aminomethyl)-2-fluoro-6-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 170716436
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine
CID 118813630
4-chloro-1H-pyrimidin-6-one;4-chloro-6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 161239439
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889
3-[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 175210116
4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3,5,10,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),3,7(12),8,10,15,17-octaene
CID 66886575
[4-chloro-2-fluoro-3-[6-oxo-4-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]-2-pyridinyl]-1H-pyrimidin-2-yl]phenyl]methyl-(2-methylpropyl)azanide
CID 152559437
3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide
CID 175218041
4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909123

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one (CID 137223799) is 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one is O=c1cc(-c2ccc(C(F)(F)F)cn2)nc(-c2c(C(F)(F)F)ccc(Cl)c2F)[nH]1.
What is the InChIKey of 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is NQHNUCJMDCUUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7ClF7N3O/c18-9-3-2-8(17(23,24)25)13(14(9)19)15-27-11(5-12(29)28-15)10-4-1-7(6-26-10)16(20,21)22/h1-6H,(H,27,28,29).
What are the key properties of 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 437.70 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137223799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).