4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine

C6H4ClF3N2O — CID 57446850

IUPAC4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C6H4ClF3N2O/c1-13-5-11-2-3(4(7)12-5)6(8,9)10/h2H,1H3
InChIKeyHIMNWCDAABXOBV-UHFFFAOYSA-N
MW212.56 g/mol
LogP2.16
Rot. Bonds1

About 4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine

4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 57446850) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine
PubChem CID57446850
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C6H4ClF3N2O/c1-13-5-11-2-3(4(7)12-5)6(8,9)10/h2H,1H3
InChIKeyHIMNWCDAABXOBV-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-(trifluoromethyl)pyrimidine
CID 13317019
5-Chloro-2-methoxypyrimidine
CID 142258
Pyrimidine, 2,4-dichloro-5-methyl-
CID 74508
2,4-Dichloro-5-fluoropyrimidine
CID 250705
2-Chloro-5-methylpyrimidine
CID 581719
2,4-Dichloro-5-(trifluoromethyl)pyrimidine
CID 2782774
5-(Trifluoromethyl)pyrimidine
CID 15273573
4-Chloro-5-fluoro-2-methylpyrimidine
CID 574155
4-Chloro-2-methoxypyrimidine
CID 575230
4-Chloro-5-methylpyrimidin-2-amine
CID 588628
2,4-Difluoro-5-methylpyrimidine
CID 336950
2-Methoxy-5-methylpyrimidine
CID 580052

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine (CID 57446850) is 4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine is COc1ncc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is HIMNWCDAABXOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c1-13-5-11-2-3(4(7)12-5)6(8,9)10/h2H,1H3.
What are the key properties of 4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine?
4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 212.56 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 57446850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).