3-(3-bromo-3-phenylpropyl)-4-methylpyridine

C15H16BrN — CID 66273189

IUPAC3-(3-bromo-3-phenylpropyl)-4-methylpyridine
SMILESCc1ccncc1CCC(Br)c1ccccc1
InChIInChI=1S/C15H16BrN/c1-12-9-10-17-11-14(12)7-8-15(16)13-5-3-2-4-6-13/h2-6,9-11,15H,7-8H2,1H3
InChIKeyYODAGKNMRCMBBR-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.46
Rot. Bonds4

About 3-(3-bromo-3-phenylpropyl)-4-methylpyridine

3-(3-bromo-3-phenylpropyl)-4-methylpyridine (PubChem CID 66273189) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 3-(3-bromo-3-phenylpropyl)-4-methylpyridine.

Molecular Properties

Compound Name3-(3-bromo-3-phenylpropyl)-4-methylpyridine
PubChem CID66273189
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name3-(3-bromo-3-phenylpropyl)-4-methylpyridine
SMILESCc1ccncc1CCC(Br)c1ccccc1
InChIInChI=1S/C15H16BrN/c1-12-9-10-17-11-14(12)7-8-15(16)13-5-3-2-4-6-13/h2-6,9-11,15H,7-8H2,1H3
InChIKeyYODAGKNMRCMBBR-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.46
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

5-(3-bromo-3-phenylpropyl)pyrimidine
CID 64507442
3-(2-chloroethyl)-4-methylpyridine
CID 65438533
2-(4-bromo-4-phenylbutyl)-1,4-dimethylbenzene
CID 64508120
N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine
CID 115900456
3-(3-iodo-1-phenylpropyl)-4-methylpyridine
CID 20595484
4-[2-bromo-4-(2-methylphenyl)butyl]-3-chloropyridine
CID 112656153
1-(4-methyl-3-pyridinyl)-N-propylhexan-3-amine
CID 66272340
3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 115900299
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
3-(3-chloro-3-phenylpropyl)pyridin-4-amine
CID 64507336
2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene
CID 55192833
3-(2-methoxyphenyl)-1-pyridin-3-ylpropan-1-ol
CID 82185446

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-3-phenylpropyl)-4-methylpyridine?
The IUPAC name of 3-(3-bromo-3-phenylpropyl)-4-methylpyridine (CID 66273189) is 3-(3-bromo-3-phenylpropyl)-4-methylpyridine.
What is the SMILES notation for 3-(3-bromo-3-phenylpropyl)-4-methylpyridine?
The canonical SMILES for 3-(3-bromo-3-phenylpropyl)-4-methylpyridine is Cc1ccncc1CCC(Br)c1ccccc1.
What is the InChIKey of 3-(3-bromo-3-phenylpropyl)-4-methylpyridine?
The InChIKey is YODAGKNMRCMBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-12-9-10-17-11-14(12)7-8-15(16)13-5-3-2-4-6-13/h2-6,9-11,15H,7-8H2,1H3.
What are the key properties of 3-(3-bromo-3-phenylpropyl)-4-methylpyridine?
3-(3-bromo-3-phenylpropyl)-4-methylpyridine has a molecular weight of 290.20 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-3-phenylpropyl)-4-methylpyridine is sourced from PubChem (CID 66273189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).