1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole

C12H6ClF3N4 — CID 130205858

IUPAC1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole
SMILESFC(F)(F)c1cnc(Cl)nc1-n1ncc2ccccc21
InChIInChI=1S/C12H6ClF3N4/c13-11-17-6-8(12(14,15)16)10(19-11)20-9-4-2-1-3-7(9)5-18-20/h1-6H
InChIKeyRPHRHIZVDUSYAK-UHFFFAOYSA-N
MW298.66 g/mol
LogP3.49
Rot. Bonds1

About 1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole

1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole (PubChem CID 130205858) has the molecular formula C12H6ClF3N4 and a molecular weight of 298.66 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole
PubChem CID130205858
Molecular FormulaC12H6ClF3N4
Molecular Weight298.66 g/mol
Exact Mass298.02
IUPAC Name1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole
SMILESFC(F)(F)c1cnc(Cl)nc1-n1ncc2ccccc21
InChIInChI=1S/C12H6ClF3N4/c13-11-17-6-8(12(14,15)16)10(19-11)20-9-4-2-1-3-7(9)5-18-20/h1-6H
InChIKeyRPHRHIZVDUSYAK-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.66
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole (CID 130205858) is 1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole is FC(F)(F)c1cnc(Cl)nc1-n1ncc2ccccc21.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole?
The InChIKey is RPHRHIZVDUSYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N4/c13-11-17-6-8(12(14,15)16)10(19-11)20-9-4-2-1-3-7(9)5-18-20/h1-6H.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole?
1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole has a molecular weight of 298.66 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazole is sourced from PubChem (CID 130205858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).