5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine

C19H20BrF2N — CID 118857246

IUPAC5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)C(F)(F)C3(C)C)ncc1Br
InChIInChI=1S/C19H20BrF2N/c1-11-8-16(23-10-15(11)20)12-6-7-13-14(9-12)18(4,5)19(21,22)17(13,2)3/h6-10H,1-5H3
InChIKeyNZVXYSOKYXZGLM-UHFFFAOYSA-N
MW380.28 g/mol
LogP6.02
Rot. Bonds1

About 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine

5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine (PubChem CID 118857246) has the molecular formula C19H20BrF2N and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine
PubChem CID118857246
Molecular FormulaC19H20BrF2N
Molecular Weight380.28 g/mol
Exact Mass379.07
IUPAC Name5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)C(F)(F)C3(C)C)ncc1Br
InChIInChI=1S/C19H20BrF2N/c1-11-8-16(23-10-15(11)20)12-6-7-13-14(9-12)18(4,5)19(21,22)17(13,2)3/h6-10H,1-5H3
InChIKeyNZVXYSOKYXZGLM-UHFFFAOYSA-N
XLogP6.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.28
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine?
The IUPAC name of 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine (CID 118857246) is 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine?
The canonical SMILES for 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine is Cc1cc(-c2ccc3c(c2)C(C)(C)C(F)(F)C3(C)C)ncc1Br.
What is the InChIKey of 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine?
The InChIKey is NZVXYSOKYXZGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2N/c1-11-8-16(23-10-15(11)20)12-6-7-13-14(9-12)18(4,5)19(21,22)17(13,2)3/h6-10H,1-5H3.
What are the key properties of 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine?
5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine has a molecular weight of 380.28 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methylpyridine is sourced from PubChem (CID 118857246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).