4-(3-bromo-5-phenylpentan-2-yl)pyridine

C16H18BrN — CID 66452661

IUPAC4-(3-bromo-5-phenylpentan-2-yl)pyridine
SMILESCC(c1ccncc1)C(Br)CCc1ccccc1
InChIInChI=1S/C16H18BrN/c1-13(15-9-11-18-12-10-15)16(17)8-7-14-5-3-2-4-6-14/h2-6,9-13,16H,7-8H2,1H3
InChIKeyOEOBHCWHASXSDY-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.58
Rot. Bonds5

About 4-(3-bromo-5-phenylpentan-2-yl)pyridine

4-(3-bromo-5-phenylpentan-2-yl)pyridine (PubChem CID 66452661) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 4-(3-bromo-5-phenylpentan-2-yl)pyridine.

Molecular Properties

Compound Name4-(3-bromo-5-phenylpentan-2-yl)pyridine
PubChem CID66452661
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name4-(3-bromo-5-phenylpentan-2-yl)pyridine
SMILESCC(c1ccncc1)C(Br)CCc1ccccc1
InChIInChI=1S/C16H18BrN/c1-13(15-9-11-18-12-10-15)16(17)8-7-14-5-3-2-4-6-14/h2-6,9-13,16H,7-8H2,1H3
InChIKeyOEOBHCWHASXSDY-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methyl-1-phenylpentan-3-yl)pyridine
CID 19783307
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
4-(7-phenylheptan-2-yl)pyridine
CID 14883828
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
(2R)-4-phenylbutane-2-thiol
CID 28974861
4-(3-phenoxybutan-2-yl)pyridine
CID 91015504
bis[(3-phenyl-1-pyridin-4-ylpropyl)sulfanyl]methanethione
CID 58903320
1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
CID 66447930
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine
CID 66460372
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-phenylpentan-2-yl)pyridine?
The IUPAC name of 4-(3-bromo-5-phenylpentan-2-yl)pyridine (CID 66452661) is 4-(3-bromo-5-phenylpentan-2-yl)pyridine.
What is the SMILES notation for 4-(3-bromo-5-phenylpentan-2-yl)pyridine?
The canonical SMILES for 4-(3-bromo-5-phenylpentan-2-yl)pyridine is CC(c1ccncc1)C(Br)CCc1ccccc1.
What is the InChIKey of 4-(3-bromo-5-phenylpentan-2-yl)pyridine?
The InChIKey is OEOBHCWHASXSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-13(15-9-11-18-12-10-15)16(17)8-7-14-5-3-2-4-6-14/h2-6,9-13,16H,7-8H2,1H3.
What are the key properties of 4-(3-bromo-5-phenylpentan-2-yl)pyridine?
4-(3-bromo-5-phenylpentan-2-yl)pyridine has a molecular weight of 304.23 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-phenylpentan-2-yl)pyridine is sourced from PubChem (CID 66452661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).