6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole

C12H6BrF3N4 — CID 130248830

IUPAC6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole
SMILESFC(F)(F)c1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C12H6BrF3N4/c13-8-2-1-7-6-18-20(9(7)5-8)11-17-4-3-10(19-11)12(14,15)16/h1-6H
InChIKeyVIVDPHNZYAEQHM-UHFFFAOYSA-N
MW343.11 g/mol
LogP3.60
Rot. Bonds1

About 6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole

6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole (PubChem CID 130248830) has the molecular formula C12H6BrF3N4 and a molecular weight of 343.11 g/mol. Its IUPAC name is 6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole.

Molecular Properties

Compound Name6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole
PubChem CID130248830
Molecular FormulaC12H6BrF3N4
Molecular Weight343.11 g/mol
Exact Mass341.97
IUPAC Name6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole
SMILESFC(F)(F)c1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C12H6BrF3N4/c13-8-2-1-7-6-18-20(9(7)5-8)11-17-4-3-10(19-11)12(14,15)16/h1-6H
InChIKeyVIVDPHNZYAEQHM-UHFFFAOYSA-N
XLogP3.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.11
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole?
The IUPAC name of 6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole (CID 130248830) is 6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole.
What is the SMILES notation for 6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole?
The canonical SMILES for 6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole is FC(F)(F)c1ccnc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole?
The InChIKey is VIVDPHNZYAEQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3N4/c13-8-2-1-7-6-18-20(9(7)5-8)11-17-4-3-10(19-11)12(14,15)16/h1-6H.
What are the key properties of 6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole?
6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole has a molecular weight of 343.11 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole is sourced from PubChem (CID 130248830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).