2-(2-bromotridecyl)-3-methylpyridine

C19H32BrN — CID 66452472

IUPAC2-(2-bromotridecyl)-3-methylpyridine
SMILESCCCCCCCCCCCC(Br)Cc1ncccc1C
InChIInChI=1S/C19H32BrN/c1-3-4-5-6-7-8-9-10-11-14-18(20)16-19-17(2)13-12-15-21-19/h12-13,15,18H,3-11,14,16H2,1-2H3
InChIKeySKMCZTRYYKUSJG-UHFFFAOYSA-N
MW354.38 g/mol
LogP6.62
Rot. Bonds12

About 2-(2-bromotridecyl)-3-methylpyridine

2-(2-bromotridecyl)-3-methylpyridine (PubChem CID 66452472) has the molecular formula C19H32BrN and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(2-bromotridecyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(2-bromotridecyl)-3-methylpyridine
PubChem CID66452472
Molecular FormulaC19H32BrN
Molecular Weight354.38 g/mol
Exact Mass353.17
IUPAC Name2-(2-bromotridecyl)-3-methylpyridine
SMILESCCCCCCCCCCCC(Br)Cc1ncccc1C
InChIInChI=1S/C19H32BrN/c1-3-4-5-6-7-8-9-10-11-14-18(20)16-19-17(2)13-12-15-21-19/h12-13,15,18H,3-11,14,16H2,1-2H3
InChIKeySKMCZTRYYKUSJG-UHFFFAOYSA-N
XLogP6.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-methylhexyl)-3-methylpyridine
CID 66455289
2-(2-bromo-4-phenylbutyl)-3-methylpyridine
CID 66453126
2-(2-bromodecyl)pyridine
CID 66452883
azane;2-butyl-3-methylpyridine
CID 175305988
1-(3-methyl-2-pyridinyl)-N-propylpentan-2-amine
CID 63198506
2-bromotridecylbenzene
CID 65427778
1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 63202116
N,5-dimethyl-1-(3-methyl-2-pyridinyl)hexan-2-amine
CID 66446876
1-(2-bromodecyl)-4-methylbenzene
CID 65427581
2-[2-(4-butoxyphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459992
2-hexyl-3-methylpyridine;methanesulfonic acid
CID 174850851
1-(3-methyl-2-pyridinyl)decan-2-one
CID 66447638

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromotridecyl)-3-methylpyridine?
The IUPAC name of 2-(2-bromotridecyl)-3-methylpyridine (CID 66452472) is 2-(2-bromotridecyl)-3-methylpyridine.
What is the SMILES notation for 2-(2-bromotridecyl)-3-methylpyridine?
The canonical SMILES for 2-(2-bromotridecyl)-3-methylpyridine is CCCCCCCCCCCC(Br)Cc1ncccc1C.
What is the InChIKey of 2-(2-bromotridecyl)-3-methylpyridine?
The InChIKey is SKMCZTRYYKUSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BrN/c1-3-4-5-6-7-8-9-10-11-14-18(20)16-19-17(2)13-12-15-21-19/h12-13,15,18H,3-11,14,16H2,1-2H3.
What are the key properties of 2-(2-bromotridecyl)-3-methylpyridine?
2-(2-bromotridecyl)-3-methylpyridine has a molecular weight of 354.38 g/mol, XLogP of 6.62, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromotridecyl)-3-methylpyridine is sourced from PubChem (CID 66452472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).