5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine

C6H3ClF4N2O — CID 13026351

IUPAC5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1nc(F)nc(C(F)(F)F)c1Cl
InChIInChI=1S/C6H3ClF4N2O/c1-14-4-2(7)3(6(9,10)11)12-5(8)13-4/h1H3
InChIKeyPWNOIGQLJXJMBK-UHFFFAOYSA-N
MW230.55 g/mol
LogP2.30
Rot. Bonds1

About 5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine

5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine (PubChem CID 13026351) has the molecular formula C6H3ClF4N2O and a molecular weight of 230.55 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine
PubChem CID13026351
Molecular FormulaC6H3ClF4N2O
Molecular Weight230.55 g/mol
Exact Mass229.99
IUPAC Name5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine
SMILESCOc1nc(F)nc(C(F)(F)F)c1Cl
InChIInChI=1S/C6H3ClF4N2O/c1-14-4-2(7)3(6(9,10)11)12-5(8)13-4/h1H3
InChIKeyPWNOIGQLJXJMBK-UHFFFAOYSA-N
XLogP2.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.55
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine (CID 13026351) is 5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine is COc1nc(F)nc(C(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is PWNOIGQLJXJMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF4N2O/c1-14-4-2(7)3(6(9,10)11)12-5(8)13-4/h1H3.
What are the key properties of 5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine?
5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 230.55 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-methoxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 13026351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).