1-bromopentane;4-pyridin-4-ylpyridine

C15H19BrN2 — CID 172712078

IUPAC1-bromopentane;4-pyridin-4-ylpyridine
SMILESCCCCCBr.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C5H11Br/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-2-3-4-5-6/h1-8H;2-5H2,1H3
InChIKeyFJPHADYAEJJLEP-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.72
Rot. Bonds4

About 1-bromopentane;4-pyridin-4-ylpyridine

1-bromopentane;4-pyridin-4-ylpyridine (PubChem CID 172712078) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 1-bromopentane;4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name1-bromopentane;4-pyridin-4-ylpyridine
PubChem CID172712078
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name1-bromopentane;4-pyridin-4-ylpyridine
SMILESCCCCCBr.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C5H11Br/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-2-3-4-5-6/h1-8H;2-5H2,1H3
InChIKeyFJPHADYAEJJLEP-UHFFFAOYSA-N
XLogP4.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromopentane;4-pyridin-4-ylpyridine?
The IUPAC name of 1-bromopentane;4-pyridin-4-ylpyridine (CID 172712078) is 1-bromopentane;4-pyridin-4-ylpyridine.
What is the SMILES notation for 1-bromopentane;4-pyridin-4-ylpyridine?
The canonical SMILES for 1-bromopentane;4-pyridin-4-ylpyridine is CCCCCBr.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 1-bromopentane;4-pyridin-4-ylpyridine?
The InChIKey is FJPHADYAEJJLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C5H11Br/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-2-3-4-5-6/h1-8H;2-5H2,1H3.
What are the key properties of 1-bromopentane;4-pyridin-4-ylpyridine?
1-bromopentane;4-pyridin-4-ylpyridine has a molecular weight of 307.24 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopentane;4-pyridin-4-ylpyridine is sourced from PubChem (CID 172712078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).