3-(bromomethyl)-2-propylpyridine

C9H12BrN — CID 141230444

IUPAC3-(bromomethyl)-2-propylpyridine
SMILESCCCc1ncccc1CBr
InChIInChI=1S/C9H12BrN/c1-2-4-9-8(7-10)5-3-6-11-9/h3,5-6H,2,4,7H2,1H3
InChIKeyHVTVFPPAAUSMBQ-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.93
Rot. Bonds3

About 3-(bromomethyl)-2-propylpyridine

3-(bromomethyl)-2-propylpyridine (PubChem CID 141230444) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 3-(bromomethyl)-2-propylpyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-propylpyridine
PubChem CID141230444
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name3-(bromomethyl)-2-propylpyridine
SMILESCCCc1ncccc1CBr
InChIInChI=1S/C9H12BrN/c1-2-4-9-8(7-10)5-3-6-11-9/h3,5-6H,2,4,7H2,1H3
InChIKeyHVTVFPPAAUSMBQ-UHFFFAOYSA-N
XLogP2.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.93
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

2,3-dipropylpyridine
CID 19593488
ethane;3-propylpyridin-2-amine
CID 176926436
2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine
CID 160565101
2-dodecyl-3-ethylpyridine
CID 160514040
2-methyl-3-propylpyridine
CID 18662893
2,3-diethylpyridine
CID 14747123
3-propyl-2-(trifluoromethyl)pyridine
CID 19881646
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
(3-pentyl-2-pyridinyl)methanol
CID 166644621
3-(2-chlorophenyl)-2-propylpyridine
CID 71204387
2-methylsulfanyl-3-propylpyridine
CID 142155621
3-ethyl-2-(iodomethyl)pyridine
CID 166542162

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-propylpyridine?
The IUPAC name of 3-(bromomethyl)-2-propylpyridine (CID 141230444) is 3-(bromomethyl)-2-propylpyridine.
What is the SMILES notation for 3-(bromomethyl)-2-propylpyridine?
The canonical SMILES for 3-(bromomethyl)-2-propylpyridine is CCCc1ncccc1CBr.
What is the InChIKey of 3-(bromomethyl)-2-propylpyridine?
The InChIKey is HVTVFPPAAUSMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-2-4-9-8(7-10)5-3-6-11-9/h3,5-6H,2,4,7H2,1H3.
What are the key properties of 3-(bromomethyl)-2-propylpyridine?
3-(bromomethyl)-2-propylpyridine has a molecular weight of 214.11 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-propylpyridine is sourced from PubChem (CID 141230444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).