3-(2-bromo-1H-pyridin-2-yl)pyridine

C10H9BrN2 — CID 152680196

IUPAC3-(2-bromo-1H-pyridin-2-yl)pyridine
SMILESBrC1(c2cccnc2)C=CC=CN1
InChIInChI=1S/C10H9BrN2/c11-10(5-1-2-7-13-10)9-4-3-6-12-8-9/h1-8,13H
InChIKeyZNJIZQQWBUCXMM-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.30
Rot. Bonds1

About 3-(2-bromo-1H-pyridin-2-yl)pyridine

3-(2-bromo-1H-pyridin-2-yl)pyridine (PubChem CID 152680196) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 3-(2-bromo-1H-pyridin-2-yl)pyridine.

Molecular Properties

Compound Name3-(2-bromo-1H-pyridin-2-yl)pyridine
PubChem CID152680196
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name3-(2-bromo-1H-pyridin-2-yl)pyridine
SMILESBrC1(c2cccnc2)C=CC=CN1
InChIInChI=1S/C10H9BrN2/c11-10(5-1-2-7-13-10)9-4-3-6-12-8-9/h1-8,13H
InChIKeyZNJIZQQWBUCXMM-UHFFFAOYSA-N
XLogP2.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 68861523
2-iodo-2-pyridin-3-yl-1H-pyrimidine
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3-(3-fluoroazetidin-3-yl)pyridine
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3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol
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3-(1-fluorocyclobutyl)pyridine
CID 158766896
3-(3-bromo-1-methylcyclopentyl)pyridine
CID 116540502
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
(1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10679181
(1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10583787
3-(3-bromo-1-adamantyl)pyridine
CID 142648168
3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
CID 13486942
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1H-pyridin-2-yl)pyridine?
The IUPAC name of 3-(2-bromo-1H-pyridin-2-yl)pyridine (CID 152680196) is 3-(2-bromo-1H-pyridin-2-yl)pyridine.
What is the SMILES notation for 3-(2-bromo-1H-pyridin-2-yl)pyridine?
The canonical SMILES for 3-(2-bromo-1H-pyridin-2-yl)pyridine is BrC1(c2cccnc2)C=CC=CN1.
What is the InChIKey of 3-(2-bromo-1H-pyridin-2-yl)pyridine?
The InChIKey is ZNJIZQQWBUCXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-10(5-1-2-7-13-10)9-4-3-6-12-8-9/h1-8,13H.
What are the key properties of 3-(2-bromo-1H-pyridin-2-yl)pyridine?
3-(2-bromo-1H-pyridin-2-yl)pyridine has a molecular weight of 237.10 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1H-pyridin-2-yl)pyridine is sourced from PubChem (CID 152680196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).