2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine

C10H5ClF4N2OS — CID 156732790

IUPAC2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccc(Cl)s2)nc(F)c1C(F)(F)F
InChIInChI=1S/C10H5ClF4N2OS/c1-18-9-6(10(13,14)15)7(12)16-8(17-9)4-2-3-5(11)19-4/h2-3H,1H3
InChIKeyZYRZISNFFOWWCV-UHFFFAOYSA-N
MW312.68 g/mol
LogP4.03
Rot. Bonds2

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

2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 156732790) has the molecular formula C10H5ClF4N2OS and a molecular weight of 312.68 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
PubChem CID156732790
Molecular FormulaC10H5ClF4N2OS
Molecular Weight312.68 g/mol
Exact Mass311.97
IUPAC Name2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccc(Cl)s2)nc(F)c1C(F)(F)F
InChIInChI=1S/C10H5ClF4N2OS/c1-18-9-6(10(13,14)15)7(12)16-8(17-9)4-2-3-5(11)19-4/h2-3H,1H3
InChIKeyZYRZISNFFOWWCV-UHFFFAOYSA-N
XLogP4.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine (CID 156732790) is 2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine is COc1nc(-c2ccc(Cl)s2)nc(F)c1C(F)(F)F.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is ZYRZISNFFOWWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF4N2OS/c1-18-9-6(10(13,14)15)7(12)16-8(17-9)4-2-3-5(11)19-4/h2-3H,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 312.68 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 156732790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).