2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine

C8H3ClF3IN4 — CID 114562968

IUPAC2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-n2cc(I)cn2)nc(Cl)n1
InChIInChI=1S/C8H3ClF3IN4/c9-7-15-5(8(10,11)12)1-6(16-7)17-3-4(13)2-14-17/h1-3H
InChIKeyGDYXBSCSTNBRAM-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.94
Rot. Bonds1

About 2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 114562968) has the molecular formula C8H3ClF3IN4 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID114562968
Molecular FormulaC8H3ClF3IN4
Molecular Weight374.49 g/mol
Exact Mass373.90
IUPAC Name2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-n2cc(I)cn2)nc(Cl)n1
InChIInChI=1S/C8H3ClF3IN4/c9-7-15-5(8(10,11)12)1-6(16-7)17-3-4(13)2-14-17/h1-3H
InChIKeyGDYXBSCSTNBRAM-UHFFFAOYSA-N
XLogP2.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine (CID 114562968) is 2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-n2cc(I)cn2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is GDYXBSCSTNBRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3IN4/c9-7-15-5(8(10,11)12)1-6(16-7)17-3-4(13)2-14-17/h1-3H.
What are the key properties of 2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 374.49 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).