3-(1-bromo-1-pyridin-3-ylpropyl)pyridine

C13H13BrN2 — CID 175286517

IUPAC3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
SMILESCCC(Br)(c1cccnc1)c1cccnc1
InChIInChI=1S/C13H13BrN2/c1-2-13(14,11-5-3-7-15-9-11)12-6-4-8-16-10-12/h3-10H,2H2,1H3
InChIKeySKCUYAUQTOBFNI-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.53
Rot. Bonds3

About 3-(1-bromo-1-pyridin-3-ylpropyl)pyridine

3-(1-bromo-1-pyridin-3-ylpropyl)pyridine (PubChem CID 175286517) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 3-(1-bromo-1-pyridin-3-ylpropyl)pyridine.

Molecular Properties

Compound Name3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
PubChem CID175286517
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
SMILESCCC(Br)(c1cccnc1)c1cccnc1
InChIInChI=1S/C13H13BrN2/c1-2-13(14,11-5-3-7-15-9-11)12-6-4-8-16-10-12/h3-10H,2H2,1H3
InChIKeySKCUYAUQTOBFNI-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
2-methyl-3-pyridin-3-ylpentan-3-ol
CID 60924070
2,2-diethoxy-2-pyridin-3-ylethanamine
CID 10987537
CID 164861717
CID 164861717
dichloro(pyridin-3-yl)methanamine
CID 139997720
3-(5-methylnonan-5-yl)pyridine
CID 139543665
2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
CID 146668087
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
tripyridin-3-ylmethanol
CID 177395677
3-(2-methyloctan-2-yl)pyridine
CID 126558457
2-bromo-2-pyridin-3-ylpropanal
CID 174678560
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-1-pyridin-3-ylpropyl)pyridine?
The IUPAC name of 3-(1-bromo-1-pyridin-3-ylpropyl)pyridine (CID 175286517) is 3-(1-bromo-1-pyridin-3-ylpropyl)pyridine.
What is the SMILES notation for 3-(1-bromo-1-pyridin-3-ylpropyl)pyridine?
The canonical SMILES for 3-(1-bromo-1-pyridin-3-ylpropyl)pyridine is CCC(Br)(c1cccnc1)c1cccnc1.
What is the InChIKey of 3-(1-bromo-1-pyridin-3-ylpropyl)pyridine?
The InChIKey is SKCUYAUQTOBFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-2-13(14,11-5-3-7-15-9-11)12-6-4-8-16-10-12/h3-10H,2H2,1H3.
What are the key properties of 3-(1-bromo-1-pyridin-3-ylpropyl)pyridine?
3-(1-bromo-1-pyridin-3-ylpropyl)pyridine has a molecular weight of 277.17 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-1-pyridin-3-ylpropyl)pyridine is sourced from PubChem (CID 175286517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).