2-(5-bromo-3-pyridinyl)pyrimidine

C9H6BrN3 — CID 22735178

IUPAC2-(5-bromo-3-pyridinyl)pyrimidine
SMILESBrc1cncc(-c2ncccn2)c1
InChIInChI=1S/C9H6BrN3/c10-8-4-7(5-11-6-8)9-12-2-1-3-13-9/h1-6H
InChIKeyRLQBACIDRXTOLB-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.30
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)pyrimidine

2-(5-bromo-3-pyridinyl)pyrimidine (PubChem CID 22735178) has the molecular formula C9H6BrN3 and a molecular weight of 236.07 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)pyrimidine
PubChem CID22735178
Molecular FormulaC9H6BrN3
Molecular Weight236.07 g/mol
Exact Mass234.97
IUPAC Name2-(5-bromo-3-pyridinyl)pyrimidine
SMILESBrc1cncc(-c2ncccn2)c1
InChIInChI=1S/C9H6BrN3/c10-8-4-7(5-11-6-8)9-12-2-1-3-13-9/h1-6H
InChIKeyRLQBACIDRXTOLB-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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)pyrimidine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)pyrimidine (CID 22735178) is 2-(5-bromo-3-pyridinyl)pyrimidine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)pyrimidine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)pyrimidine is Brc1cncc(-c2ncccn2)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)pyrimidine?
The InChIKey is RLQBACIDRXTOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3/c10-8-4-7(5-11-6-8)9-12-2-1-3-13-9/h1-6H.
What are the key properties of 2-(5-bromo-3-pyridinyl)pyrimidine?
2-(5-bromo-3-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 2-(5-bromo-3-pyridinyl)pyrimidine is sourced from PubChem (CID 22735178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).