2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine

C9H6ClF3N4O — CID 114562121

IUPAC2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(Oc2cc(C(F)(F)F)nc(Cl)n2)n[nH]1
InChIInChI=1S/C9H6ClF3N4O/c1-4-2-7(17-16-4)18-6-3-5(9(11,12)13)14-8(10)15-6/h2-3H,1H3,(H,16,17)
InChIKeyBCAZCWFGKDSERD-UHFFFAOYSA-N
MW278.62 g/mol
LogP2.97
Rot. Bonds2

About 2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine

2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine (PubChem CID 114562121) has the molecular formula C9H6ClF3N4O and a molecular weight of 278.62 g/mol. Its IUPAC name is 2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine
PubChem CID114562121
Molecular FormulaC9H6ClF3N4O
Molecular Weight278.62 g/mol
Exact Mass278.02
IUPAC Name2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(Oc2cc(C(F)(F)F)nc(Cl)n2)n[nH]1
InChIInChI=1S/C9H6ClF3N4O/c1-4-2-7(17-16-4)18-6-3-5(9(11,12)13)14-8(10)15-6/h2-3H,1H3,(H,16,17)
InChIKeyBCAZCWFGKDSERD-UHFFFAOYSA-N
XLogP2.97
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine (CID 114562121) is 2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine is Cc1cc(Oc2cc(C(F)(F)F)nc(Cl)n2)n[nH]1.
What is the InChIKey of 2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine?
The InChIKey is BCAZCWFGKDSERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4O/c1-4-2-7(17-16-4)18-6-3-5(9(11,12)13)14-8(10)15-6/h2-3H,1H3,(H,16,17).
What are the key properties of 2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine?
2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine has a molecular weight of 278.62 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).