2-(6-bromo-3-pyridinyl)pyrimidine

C9H6BrN3 — CID 53486981

IUPAC2-(6-bromo-3-pyridinyl)pyrimidine
SMILESBrc1ccc(-c2ncccn2)cn1
InChIInChI=1S/C9H6BrN3/c10-8-3-2-7(6-13-8)9-11-4-1-5-12-9/h1-6H
InChIKeySYODETQANLEOFO-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.30
Rot. Bonds1

About 2-(6-bromo-3-pyridinyl)pyrimidine

2-(6-bromo-3-pyridinyl)pyrimidine (PubChem CID 53486981) has the molecular formula C9H6BrN3 and a molecular weight of 236.07 g/mol. Its IUPAC name is 2-(6-bromo-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-(6-bromo-3-pyridinyl)pyrimidine
PubChem CID53486981
Molecular FormulaC9H6BrN3
Molecular Weight236.07 g/mol
Exact Mass234.97
IUPAC Name2-(6-bromo-3-pyridinyl)pyrimidine
SMILESBrc1ccc(-c2ncccn2)cn1
InChIInChI=1S/C9H6BrN3/c10-8-3-2-7(6-13-8)9-11-4-1-5-12-9/h1-6H
InChIKeySYODETQANLEOFO-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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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-pyridinyl)pyrimidine?
The IUPAC name of 2-(6-bromo-3-pyridinyl)pyrimidine (CID 53486981) is 2-(6-bromo-3-pyridinyl)pyrimidine.
What is the SMILES notation for 2-(6-bromo-3-pyridinyl)pyrimidine?
The canonical SMILES for 2-(6-bromo-3-pyridinyl)pyrimidine is Brc1ccc(-c2ncccn2)cn1.
What is the InChIKey of 2-(6-bromo-3-pyridinyl)pyrimidine?
The InChIKey is SYODETQANLEOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3/c10-8-3-2-7(6-13-8)9-11-4-1-5-12-9/h1-6H.
What are the key properties of 2-(6-bromo-3-pyridinyl)pyrimidine?
2-(6-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-(6-bromo-3-pyridinyl)pyrimidine is sourced from PubChem (CID 53486981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).