4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine

C12H8ClF3N2O2 — CID 46831438

IUPAC4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine
SMILESCOc1cncnc1-c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H8ClF3N2O2/c1-19-10-5-17-6-18-11(10)7-2-3-9(8(13)4-7)20-12(14,15)16/h2-6H,1H3
InChIKeyGJKFUGBBPAFNHG-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.70
Rot. Bonds3

About 4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine

4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine (PubChem CID 46831438) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is 4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine.

Molecular Properties

Compound Name4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine
PubChem CID46831438
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC Name4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine
SMILESCOc1cncnc1-c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H8ClF3N2O2/c1-19-10-5-17-6-18-11(10)7-2-3-9(8(13)4-7)20-12(14,15)16/h2-6H,1H3
InChIKeyGJKFUGBBPAFNHG-UHFFFAOYSA-N
XLogP3.70
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482936
5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 164893356
[3-(5-methoxypyrimidin-4-yl)phenyl]-trimethylsilane
CID 46831141
2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine
CID 91926950
4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline
CID 66616189
4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 105371106
2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 175748253
5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 167980928
2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489254
3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134625989
5-(4-chloro-3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 166882327
2-chloro-4-(4-pentoxyphenyl)-1-(trifluoromethoxy)benzene
CID 91106726

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine?
The IUPAC name of 4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine (CID 46831438) is 4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine.
What is the SMILES notation for 4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine?
The canonical SMILES for 4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine is COc1cncnc1-c1ccc(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine?
The InChIKey is GJKFUGBBPAFNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c1-19-10-5-17-6-18-11(10)7-2-3-9(8(13)4-7)20-12(14,15)16/h2-6H,1H3.
What are the key properties of 4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine?
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine has a molecular weight of 304.66 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine is sourced from PubChem (CID 46831438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).