8-(5-bromo-3-pyridinyl)-7H-purine

C10H6BrN5 — CID 114402746

IUPAC8-(5-bromo-3-pyridinyl)-7H-purine
SMILESBrc1cncc(-c2nc3ncncc3[nH]2)c1
InChIInChI=1S/C10H6BrN5/c11-7-1-6(2-12-3-7)9-15-8-4-13-5-14-10(8)16-9/h1-5H,(H,13,14,15,16)
InChIKeyYKCRCXBLYOAGGF-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.18
Rot. Bonds1

About 8-(5-bromo-3-pyridinyl)-7H-purine

8-(5-bromo-3-pyridinyl)-7H-purine (PubChem CID 114402746) has the molecular formula C10H6BrN5 and a molecular weight of 276.10 g/mol. Its IUPAC name is 8-(5-bromo-3-pyridinyl)-7H-purine.

Molecular Properties

Compound Name8-(5-bromo-3-pyridinyl)-7H-purine
PubChem CID114402746
Molecular FormulaC10H6BrN5
Molecular Weight276.10 g/mol
Exact Mass274.98
IUPAC Name8-(5-bromo-3-pyridinyl)-7H-purine
SMILESBrc1cncc(-c2nc3ncncc3[nH]2)c1
InChIInChI=1S/C10H6BrN5/c11-7-1-6(2-12-3-7)9-15-8-4-13-5-14-10(8)16-9/h1-5H,(H,13,14,15,16)
InChIKeyYKCRCXBLYOAGGF-UHFFFAOYSA-N
XLogP2.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine
CID 63154340
8-[4-bromo-3-(trifluoromethyl)phenyl]-7H-purine
CID 114402525
8-(5-methylfuran-3-yl)-7H-purine
CID 114821646
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
2,6-dichloro-4-(7H-purin-8-yl)aniline
CID 114402139
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
4-(7H-purin-8-yl)pyridin-2-amine
CID 114402124
8-thiophen-3-yl-7H-purine
CID 114402602
3-chloro-5-(7H-purin-8-yl)phenol
CID 167797751
8-(3,4,5-trimethoxyphenyl)-7H-purine
CID 114402745
8-(4-cyclopropylphenyl)-7H-purine
CID 167906113
6-bromo-2-(3-bromo-5-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 115999483

Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-3-pyridinyl)-7H-purine?
The IUPAC name of 8-(5-bromo-3-pyridinyl)-7H-purine (CID 114402746) is 8-(5-bromo-3-pyridinyl)-7H-purine.
What is the SMILES notation for 8-(5-bromo-3-pyridinyl)-7H-purine?
The canonical SMILES for 8-(5-bromo-3-pyridinyl)-7H-purine is Brc1cncc(-c2nc3ncncc3[nH]2)c1.
What is the InChIKey of 8-(5-bromo-3-pyridinyl)-7H-purine?
The InChIKey is YKCRCXBLYOAGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5/c11-7-1-6(2-12-3-7)9-15-8-4-13-5-14-10(8)16-9/h1-5H,(H,13,14,15,16).
What are the key properties of 8-(5-bromo-3-pyridinyl)-7H-purine?
8-(5-bromo-3-pyridinyl)-7H-purine has a molecular weight of 276.10 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-3-pyridinyl)-7H-purine is sourced from PubChem (CID 114402746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).