2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine

C11H6Br2IN5 — CID 102160368

IUPAC2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine
SMILESBrc1cnn(-c2cc(I)cc(-n3cc(Br)cn3)n2)c1
InChIInChI=1S/C11H6Br2IN5/c12-7-3-15-18(5-7)10-1-9(14)2-11(17-10)19-6-8(13)4-16-19/h1-6H
InChIKeyNUANNXFRVGQZAD-UHFFFAOYSA-N
MW494.92 g/mol
LogP3.58
Rot. Bonds2

About 2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine

2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine (PubChem CID 102160368) has the molecular formula C11H6Br2IN5 and a molecular weight of 494.92 g/mol. Its IUPAC name is 2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine.

Molecular Properties

Compound Name2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine
PubChem CID102160368
Molecular FormulaC11H6Br2IN5
Molecular Weight494.92 g/mol
Exact Mass492.80
IUPAC Name2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine
SMILESBrc1cnn(-c2cc(I)cc(-n3cc(Br)cn3)n2)c1
InChIInChI=1S/C11H6Br2IN5/c12-7-3-15-18(5-7)10-1-9(14)2-11(17-10)19-6-8(13)4-16-19/h1-6H
InChIKeyNUANNXFRVGQZAD-UHFFFAOYSA-N
XLogP3.58
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.92
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768034
6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 112559857
4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine
CID 80901012
[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol
CID 61255216
2-(4-bromopyrazol-1-yl)quinoline-4-carboxylic acid
CID 54909506
1-[1-[4-iodo-6-(4-octanoylpyrazol-1-yl)-2-pyridinyl]pyrazol-4-yl]octan-1-one
CID 57381610
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
CID 64831077
6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine
CID 61256204
[2-(4-bromopyrazol-1-yl)-4-pyridinyl]methanamine
CID 61035802
[6-(4-bromopyrazol-1-yl)pyridazin-3-yl]methanamine
CID 62295440
2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562968

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine?
The IUPAC name of 2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine (CID 102160368) is 2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine.
What is the SMILES notation for 2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine?
The canonical SMILES for 2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine is Brc1cnn(-c2cc(I)cc(-n3cc(Br)cn3)n2)c1.
What is the InChIKey of 2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine?
The InChIKey is NUANNXFRVGQZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2IN5/c12-7-3-15-18(5-7)10-1-9(14)2-11(17-10)19-6-8(13)4-16-19/h1-6H.
What are the key properties of 2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine?
2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine has a molecular weight of 494.92 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine is sourced from PubChem (CID 102160368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).