2-(5-bromo-2-pyridinyl)-5-butylpyridine

C14H15BrN2 — CID 11119836

IUPAC2-(5-bromo-2-pyridinyl)-5-butylpyridine
SMILESCCCCc1ccc(-c2ccc(Br)cn2)nc1
InChIInChI=1S/C14H15BrN2/c1-2-3-4-11-5-7-13(16-9-11)14-8-6-12(15)10-17-14/h5-10H,2-4H2,1H3
InChIKeyCSAXLSXZEXDTNY-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.25
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-5-butylpyridine

2-(5-bromo-2-pyridinyl)-5-butylpyridine (PubChem CID 11119836) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-5-butylpyridine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-5-butylpyridine
PubChem CID11119836
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name2-(5-bromo-2-pyridinyl)-5-butylpyridine
SMILESCCCCc1ccc(-c2ccc(Br)cn2)nc1
InChIInChI=1S/C14H15BrN2/c1-2-3-4-11-5-7-13(16-9-11)14-8-6-12(15)10-17-14/h5-10H,2-4H2,1H3
InChIKeyCSAXLSXZEXDTNY-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Brompheniramine
CID 6834
2,2'-Bipyridine
CID 1474
Pheniramine
CID 4761
Zimelidine
CID 5365247
5-Ethyl-2-methylpyridine
CID 7728
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Dexbrompheniramine
CID 16960
Anabaseine
CID 18985
2-(3-Phenylpropyl)Pyridine
CID 459494
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
2-Phenylpyridine
CID 13887

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-5-butylpyridine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-5-butylpyridine (CID 11119836) is 2-(5-bromo-2-pyridinyl)-5-butylpyridine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-5-butylpyridine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-5-butylpyridine is CCCCc1ccc(-c2ccc(Br)cn2)nc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-5-butylpyridine?
The InChIKey is CSAXLSXZEXDTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-2-3-4-11-5-7-13(16-9-11)14-8-6-12(15)10-17-14/h5-10H,2-4H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-5-butylpyridine?
2-(5-bromo-2-pyridinyl)-5-butylpyridine has a molecular weight of 291.19 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-5-butylpyridine is sourced from PubChem (CID 11119836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).