4-(bromomethyl)-3-propan-2-ylpyridine

C9H12BrN — CID 131699764

IUPAC4-(bromomethyl)-3-propan-2-ylpyridine
SMILESCC(C)c1cnccc1CBr
InChIInChI=1S/C9H12BrN/c1-7(2)9-6-11-4-3-8(9)5-10/h3-4,6-7H,5H2,1-2H3
InChIKeyGVWXIWYMRLOBTA-UHFFFAOYSA-N
MW214.11 g/mol
LogP3.10
Rot. Bonds2

About 4-(bromomethyl)-3-propan-2-ylpyridine

4-(bromomethyl)-3-propan-2-ylpyridine (PubChem CID 131699764) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 4-(bromomethyl)-3-propan-2-ylpyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-propan-2-ylpyridine
PubChem CID131699764
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name4-(bromomethyl)-3-propan-2-ylpyridine
SMILESCC(C)c1cnccc1CBr
InChIInChI=1S/C9H12BrN/c1-7(2)9-6-11-4-3-8(9)5-10/h3-4,6-7H,5H2,1-2H3
InChIKeyGVWXIWYMRLOBTA-UHFFFAOYSA-N
XLogP3.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 53.10
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

[4-(bromomethyl)-3-pyridinyl]methanol
CID 139484815
1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine
CID 82409851
2-(4-propan-2-yl-3-pyridinyl)acetic acid
CID 82409628
2-(3-propan-2-yl-4-pyridinyl)propan-2-ol
CID 115008742
4-(bromomethyl)-3-(trifluoromethyl)pyridine
CID 118704049
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
3-(bromomethyl)pyridin-4-amine
CID 18674607
4-(bromomethyl)-3-phenylpyridine
CID 118822650
3,4-diethylpyridine;ethane
CID 90914060
3-tert-butyl-4-propan-2-ylpyridine
CID 59734411
4-bromo-3-(1-bromoethyl)pyridine
CID 119087167
ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
CID 167681934

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-propan-2-ylpyridine?
The IUPAC name of 4-(bromomethyl)-3-propan-2-ylpyridine (CID 131699764) is 4-(bromomethyl)-3-propan-2-ylpyridine.
What is the SMILES notation for 4-(bromomethyl)-3-propan-2-ylpyridine?
The canonical SMILES for 4-(bromomethyl)-3-propan-2-ylpyridine is CC(C)c1cnccc1CBr.
What is the InChIKey of 4-(bromomethyl)-3-propan-2-ylpyridine?
The InChIKey is GVWXIWYMRLOBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-7(2)9-6-11-4-3-8(9)5-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 4-(bromomethyl)-3-propan-2-ylpyridine?
4-(bromomethyl)-3-propan-2-ylpyridine has a molecular weight of 214.11 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-propan-2-ylpyridine is sourced from PubChem (CID 131699764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).