4-(6-bromo-2-pyridinyl)pyrimidine

C9H6BrN3 — CID 102457660

IUPAC4-(6-bromo-2-pyridinyl)pyrimidine
SMILESBrc1cccc(-c2ccncn2)n1
InChIInChI=1S/C9H6BrN3/c10-9-3-1-2-8(13-9)7-4-5-11-6-12-7/h1-6H
InChIKeyFKSYFLUFHNGGEC-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.30
Rot. Bonds1

About 4-(6-bromo-2-pyridinyl)pyrimidine

4-(6-bromo-2-pyridinyl)pyrimidine (PubChem CID 102457660) has the molecular formula C9H6BrN3 and a molecular weight of 236.07 g/mol. Its IUPAC name is 4-(6-bromo-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-(6-bromo-2-pyridinyl)pyrimidine
PubChem CID102457660
Molecular FormulaC9H6BrN3
Molecular Weight236.07 g/mol
Exact Mass234.97
IUPAC Name4-(6-bromo-2-pyridinyl)pyrimidine
SMILESBrc1cccc(-c2ccncn2)n1
InChIInChI=1S/C9H6BrN3/c10-9-3-1-2-8(13-9)7-4-5-11-6-12-7/h1-6H
InChIKeyFKSYFLUFHNGGEC-UHFFFAOYSA-N
XLogP2.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.30
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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Related Compounds

pyrrolo[3,2-d][1,3]diazepine
CID 70359339
2-methyl-4-pyrimidin-4-ylpyrimidine
CID 54062248
4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine
CID 160769700
2-bromo-6-(4-methyl-3-pyridinyl)pyridine
CID 66273601
4-bromopyridine;2,6-dipyridin-2-ylpyridine
CID 70125485
2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine
CID 132991958
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
4-[4-(4-bromophenyl)phenyl]pyrimidine
CID 174799643
(2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole
CID 138747083
2-bromo-6-[6-[2-[2-[2-[2-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]pyridine
CID 101410296
2-bromo-6-(2-fluoro-4-pyridinyl)pyridine
CID 71480002
CID 59716380
CID 59716380

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2-pyridinyl)pyrimidine?
The IUPAC name of 4-(6-bromo-2-pyridinyl)pyrimidine (CID 102457660) is 4-(6-bromo-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-(6-bromo-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-(6-bromo-2-pyridinyl)pyrimidine is Brc1cccc(-c2ccncn2)n1.
What is the InChIKey of 4-(6-bromo-2-pyridinyl)pyrimidine?
The InChIKey is FKSYFLUFHNGGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3/c10-9-3-1-2-8(13-9)7-4-5-11-6-12-7/h1-6H.
What are the key properties of 4-(6-bromo-2-pyridinyl)pyrimidine?
4-(6-bromo-2-pyridinyl)pyrimidine has a molecular weight of 236.07 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2-pyridinyl)pyrimidine is sourced from PubChem (CID 102457660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).