3-(1-bromoheptyl)pyridine

C12H18BrN — CID 140580722

IUPAC3-(1-bromoheptyl)pyridine
SMILESCCCCCCC(Br)c1cccnc1
InChIInChI=1S/C12H18BrN/c1-2-3-4-5-8-12(13)11-7-6-9-14-10-11/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyJNMBWDJCSDNMTF-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.49
Rot. Bonds6

About 3-(1-bromoheptyl)pyridine

3-(1-bromoheptyl)pyridine (PubChem CID 140580722) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 3-(1-bromoheptyl)pyridine.

Molecular Properties

Compound Name3-(1-bromoheptyl)pyridine
PubChem CID140580722
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name3-(1-bromoheptyl)pyridine
SMILESCCCCCCC(Br)c1cccnc1
InChIInChI=1S/C12H18BrN/c1-2-3-4-5-8-12(13)11-7-6-9-14-10-11/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyJNMBWDJCSDNMTF-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.49
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

3-tridecan-7-ylpyridine
CID 129119745
3-dodecan-5-ylpyridine
CID 71051175
3-decan-5-ylpyridine
CID 170375029
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
3-(1-fluoroheptan-2-yl)pyridine
CID 150907283
1-pyridin-3-yldecylhydrazine
CID 105196150
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
3-[(3S)-heptan-3-yl]pyridine
CID 134862290
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
3-(2-hexyloctyl)pyridine
CID 167277838

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromoheptyl)pyridine?
The IUPAC name of 3-(1-bromoheptyl)pyridine (CID 140580722) is 3-(1-bromoheptyl)pyridine.
What is the SMILES notation for 3-(1-bromoheptyl)pyridine?
The canonical SMILES for 3-(1-bromoheptyl)pyridine is CCCCCCC(Br)c1cccnc1.
What is the InChIKey of 3-(1-bromoheptyl)pyridine?
The InChIKey is JNMBWDJCSDNMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-2-3-4-5-8-12(13)11-7-6-9-14-10-11/h6-7,9-10,12H,2-5,8H2,1H3.
What are the key properties of 3-(1-bromoheptyl)pyridine?
3-(1-bromoheptyl)pyridine has a molecular weight of 256.19 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromoheptyl)pyridine is sourced from PubChem (CID 140580722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).