5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine

C11H6BrF4N3 — CID 122456058

IUPAC5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2cnc(C(F)(F)F)nc2)c(F)c(Br)n1
InChIInChI=1S/C11H6BrF4N3/c1-5-2-7(8(13)9(12)19-5)6-3-17-10(18-4-6)11(14,15)16/h2-4H,1H3
InChIKeyJEGVKKODNDMHBM-UHFFFAOYSA-N
MW336.09 g/mol
LogP3.77
Rot. Bonds1

About 5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine

5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 122456058) has the molecular formula C11H6BrF4N3 and a molecular weight of 336.09 g/mol. Its IUPAC name is 5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
PubChem CID122456058
Molecular FormulaC11H6BrF4N3
Molecular Weight336.09 g/mol
Exact Mass334.97
IUPAC Name5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(-c2cnc(C(F)(F)F)nc2)c(F)c(Br)n1
InChIInChI=1S/C11H6BrF4N3/c1-5-2-7(8(13)9(12)19-5)6-3-17-10(18-4-6)11(14,15)16/h2-4H,1H3
InChIKeyJEGVKKODNDMHBM-UHFFFAOYSA-N
XLogP3.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.09
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine (CID 122456058) is 5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine is Cc1cc(-c2cnc(C(F)(F)F)nc2)c(F)c(Br)n1.
What is the InChIKey of 5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is JEGVKKODNDMHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF4N3/c1-5-2-7(8(13)9(12)19-5)6-3-17-10(18-4-6)11(14,15)16/h2-4H,1H3.
What are the key properties of 5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 336.09 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122456058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).