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

C17H8ClF6N3O2 — CID 137223758

IUPAC2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(OC(F)F)nc2)nc(-c2c(C(F)(F)F)ccc(Cl)c2F)[nH]1
InChIInChI=1S/C17H8ClF6N3O2/c18-9-3-2-8(17(22,23)24)13(14(9)19)15-26-10(5-11(28)27-15)7-1-4-12(25-6-7)29-16(20)21/h1-6,16H,(H,26,27,28)
InChIKeyUDYCWMKYXQJFBR-UHFFFAOYSA-N
MW435.71 g/mol
LogP4.91
Rot. Bonds4

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

2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137223758) has the molecular formula C17H8ClF6N3O2 and a molecular weight of 435.71 g/mol. Its IUPAC name is 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137223758
Molecular FormulaC17H8ClF6N3O2
Molecular Weight435.71 g/mol
Exact Mass435.02
IUPAC Name2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(OC(F)F)nc2)nc(-c2c(C(F)(F)F)ccc(Cl)c2F)[nH]1
InChIInChI=1S/C17H8ClF6N3O2/c18-9-3-2-8(17(22,23)24)13(14(9)19)15-26-10(5-11(28)27-15)7-1-4-12(25-6-7)29-16(20)21/h1-6,16H,(H,26,27,28)
InChIKeyUDYCWMKYXQJFBR-UHFFFAOYSA-N
XLogP4.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.71
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one (CID 137223758) is 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one is O=c1cc(-c2ccc(OC(F)F)nc2)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-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is UDYCWMKYXQJFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClF6N3O2/c18-9-3-2-8(17(22,23)24)13(14(9)19)15-26-10(5-11(28)27-15)7-1-4-12(25-6-7)29-16(20)21/h1-6,16H,(H,26,27,28).
What are the key properties of 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one?
2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 435.71 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[6-(difluoromethoxy)-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137223758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).