2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol

C18H16BrN3O — CID 68735197

IUPAC2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C18H16BrN3O/c1-18(2,23)17-9-12(13-7-14(19)11-20-10-13)8-16(22-17)15-5-3-4-6-21-15/h3-11,23H,1-2H3
InChIKeyCMLFTHWJFJHRAO-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.20
Rot. Bonds3

About 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol

2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol (PubChem CID 68735197) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol
PubChem CID68735197
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C18H16BrN3O/c1-18(2,23)17-9-12(13-7-14(19)11-20-10-13)8-16(22-17)15-5-3-4-6-21-15/h3-11,23H,1-2H3
InChIKeyCMLFTHWJFJHRAO-UHFFFAOYSA-N
XLogP4.20
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

2-[3,5-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;3-[3,5-bis(5-pyridin-2-yl-3-pyridinyl)phenyl]-5-pyridin-2-ylpyridine;2-[3,5-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 162168148
1-[[4-[5-(2-tert-butyl-6-pyridin-2-yl-4-pyridinyl)-3-pyridinyl]phenyl]methyl]-4-propan-2-ylpiperazine
CID 68762413
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
3-(4-methylphenyl)-5-pyridin-2-ylpyridine
CID 59510713
3-phenyl-5-(6-pyridin-2-yl-3-pyridinyl)pyridine
CID 59724442
2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine
CID 58004258
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
CID 58090461
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
2-[5-(5-bromo-2-pyridin-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]propan-2-ol
CID 57481178
2-(5-bromo-3-pyridinyl)pyrimidine
CID 22735178

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol (CID 68735197) is 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1.
What is the InChIKey of 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol?
The InChIKey is CMLFTHWJFJHRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-18(2,23)17-9-12(13-7-14(19)11-20-10-13)8-16(22-17)15-5-3-4-6-21-15/h3-11,23H,1-2H3.
What are the key properties of 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol?
2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol has a molecular weight of 370.25 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-3-pyridinyl)-6-pyridin-2-yl-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 68735197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).