2-(bromomethyl)-2,4-diethyl-1H-pyridine

C10H16BrN — CID 66815201

IUPAC2-(bromomethyl)-2,4-diethyl-1H-pyridine
SMILESCCC1=CC(CC)(CBr)NC=C1
InChIInChI=1S/C10H16BrN/c1-3-9-5-6-12-10(4-2,7-9)8-11/h5-7,12H,3-4,8H2,1-2H3
InChIKeyRYHOYPOAJXXPSJ-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.98
Rot. Bonds3

About 2-(bromomethyl)-2,4-diethyl-1H-pyridine

2-(bromomethyl)-2,4-diethyl-1H-pyridine (PubChem CID 66815201) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is 2-(bromomethyl)-2,4-diethyl-1H-pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-2,4-diethyl-1H-pyridine
PubChem CID66815201
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Name2-(bromomethyl)-2,4-diethyl-1H-pyridine
SMILESCCC1=CC(CC)(CBr)NC=C1
InChIInChI=1S/C10H16BrN/c1-3-9-5-6-12-10(4-2,7-9)8-11/h5-7,12H,3-4,8H2,1-2H3
InChIKeyRYHOYPOAJXXPSJ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine
CID 126483986
2-ethyl-2-methyl-1H-pyridine
CID 21692179
2-ethyl-2,5-dimethyl-1H-pyridine
CID 23162595
4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-2,4-dien-1-amine
CID 58918388
(2S)-2-ethyl-2-methyl-1H-pyridine
CID 68928468
2-ethenyl-2-ethyl-1H-pyridine
CID 69342076
2-ethenyl-2,3,4,5-tetramethyl-1H-pyridine
CID 70587571
CID 87607801
CID 87607801
(7aR)-3-bromo-4,7a-dimethyl-1,7-dihydroindole
CID 117621641
2-(bromomethyl)-2-methyl-1H-pyridine
CID 130346034
2,5-diethyl-2-methyl-1H-pyridine
CID 139924033
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,2-dihydropyridine
CID 141882609

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2,4-diethyl-1H-pyridine?
The IUPAC name of 2-(bromomethyl)-2,4-diethyl-1H-pyridine (CID 66815201) is 2-(bromomethyl)-2,4-diethyl-1H-pyridine.
What is the SMILES notation for 2-(bromomethyl)-2,4-diethyl-1H-pyridine?
The canonical SMILES for 2-(bromomethyl)-2,4-diethyl-1H-pyridine is CCC1=CC(CC)(CBr)NC=C1.
What is the InChIKey of 2-(bromomethyl)-2,4-diethyl-1H-pyridine?
The InChIKey is RYHOYPOAJXXPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN/c1-3-9-5-6-12-10(4-2,7-9)8-11/h5-7,12H,3-4,8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-2,4-diethyl-1H-pyridine?
2-(bromomethyl)-2,4-diethyl-1H-pyridine has a molecular weight of 230.15 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2,4-diethyl-1H-pyridine is sourced from PubChem (CID 66815201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).