5-bromo-2-(3-phenylpropyl)pyridine

C14H14BrN — CID 22127052

IUPAC5-bromo-2-(3-phenylpropyl)pyridine
SMILESBrc1ccc(CCCc2ccccc2)nc1
InChIInChI=1S/C14H14BrN/c15-13-9-10-14(16-11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKeyVWMIRHLAAXEULX-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.02
Rot. Bonds4

About 5-bromo-2-(3-phenylpropyl)pyridine

5-bromo-2-(3-phenylpropyl)pyridine (PubChem CID 22127052) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 5-bromo-2-(3-phenylpropyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-phenylpropyl)pyridine
PubChem CID22127052
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name5-bromo-2-(3-phenylpropyl)pyridine
SMILESBrc1ccc(CCCc2ccccc2)nc1
InChIInChI=1S/C14H14BrN/c15-13-9-10-14(16-11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKeyVWMIRHLAAXEULX-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-(10,10,10-trifluorodecyl)pyridine
CID 151052015
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
CID 104811937
5-bromo-2-(4-cyclopropylbutyl)pyridine
CID 71137385
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
2-(7-phenylheptyl)pyridine
CID 54510986
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 104810396
4-(3-phenylpropyl)-2-sulfanyltriazole
CID 171779143
5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 55251700
1-(5-bromo-2-pyridinyl)-3-(2-phenylethyl)thiourea
CID 2429552

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-phenylpropyl)pyridine?
The IUPAC name of 5-bromo-2-(3-phenylpropyl)pyridine (CID 22127052) is 5-bromo-2-(3-phenylpropyl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-phenylpropyl)pyridine?
The canonical SMILES for 5-bromo-2-(3-phenylpropyl)pyridine is Brc1ccc(CCCc2ccccc2)nc1.
What is the InChIKey of 5-bromo-2-(3-phenylpropyl)pyridine?
The InChIKey is VWMIRHLAAXEULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c15-13-9-10-14(16-11-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2.
What are the key properties of 5-bromo-2-(3-phenylpropyl)pyridine?
5-bromo-2-(3-phenylpropyl)pyridine has a molecular weight of 276.18 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-phenylpropyl)pyridine is sourced from PubChem (CID 22127052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).