3-(3-iodo-1-phenylpropyl)-4-methylpyridine

C15H16IN — CID 20595484

IUPAC3-(3-iodo-1-phenylpropyl)-4-methylpyridine
SMILESCc1ccncc1C(CCI)c1ccccc1
InChIInChI=1S/C15H16IN/c1-12-8-10-17-11-15(12)14(7-9-16)13-5-3-2-4-6-13/h2-6,8,10-11,14H,7,9H2,1H3
InChIKeyHUJKINGZYHLAOK-UHFFFAOYSA-N
MW337.20 g/mol
LogP4.35
Rot. Bonds4

About 3-(3-iodo-1-phenylpropyl)-4-methylpyridine

3-(3-iodo-1-phenylpropyl)-4-methylpyridine (PubChem CID 20595484) has the molecular formula C15H16IN and a molecular weight of 337.20 g/mol. Its IUPAC name is 3-(3-iodo-1-phenylpropyl)-4-methylpyridine.

Molecular Properties

Compound Name3-(3-iodo-1-phenylpropyl)-4-methylpyridine
PubChem CID20595484
Molecular FormulaC15H16IN
Molecular Weight337.20 g/mol
Exact Mass337.03
IUPAC Name3-(3-iodo-1-phenylpropyl)-4-methylpyridine
SMILESCc1ccncc1C(CCI)c1ccccc1
InChIInChI=1S/C15H16IN/c1-12-8-10-17-11-15(12)14(7-9-16)13-5-3-2-4-6-13/h2-6,8,10-11,14H,7,9H2,1H3
InChIKeyHUJKINGZYHLAOK-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

fluoromethane;1-[3-(3-iodo-1-phenylpropyl)-4-pyridinyl]-N-propylmethanimine;isocyanomethane
CID 91259425
1-(4-methyl-3-pyridinyl)-3-phenylbutan-1-ol
CID 66273094
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306
3-(3-bromo-3-phenylpropyl)-4-methylpyridine
CID 66273189
N-ethyl-2-methoxy-1-(4-methyl-3-pyridinyl)-2-phenylethanamine
CID 116773113
4-methyl-N-(3-phenylbutyl)pyridin-3-amine
CID 55201696
(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817782
N-[1-(4-methyl-3-pyridinyl)ethyl]aniline
CID 115888646
(4-methyl-3-pyridinyl)-pyrimidin-2-ylmethanamine
CID 66273123
3,4-dimethylpyridine;1,2-xylene
CID 158871716
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodo-1-phenylpropyl)-4-methylpyridine?
The IUPAC name of 3-(3-iodo-1-phenylpropyl)-4-methylpyridine (CID 20595484) is 3-(3-iodo-1-phenylpropyl)-4-methylpyridine.
What is the SMILES notation for 3-(3-iodo-1-phenylpropyl)-4-methylpyridine?
The canonical SMILES for 3-(3-iodo-1-phenylpropyl)-4-methylpyridine is Cc1ccncc1C(CCI)c1ccccc1.
What is the InChIKey of 3-(3-iodo-1-phenylpropyl)-4-methylpyridine?
The InChIKey is HUJKINGZYHLAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN/c1-12-8-10-17-11-15(12)14(7-9-16)13-5-3-2-4-6-13/h2-6,8,10-11,14H,7,9H2,1H3.
What are the key properties of 3-(3-iodo-1-phenylpropyl)-4-methylpyridine?
3-(3-iodo-1-phenylpropyl)-4-methylpyridine has a molecular weight of 337.20 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodo-1-phenylpropyl)-4-methylpyridine is sourced from PubChem (CID 20595484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).