4-(1-bromoethyl)-2-methoxy-6-methylpyridine

C9H12BrNO — CID 146278364

IUPAC4-(1-bromoethyl)-2-methoxy-6-methylpyridine
SMILESCOc1cc(C(C)Br)cc(C)n1
InChIInChI=1S/C9H12BrNO/c1-6-4-8(7(2)10)5-9(11-6)12-3/h4-5,7H,1-3H3
InChIKeyGSSZTSMNBNGXLP-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.85
Rot. Bonds2

About 4-(1-bromoethyl)-2-methoxy-6-methylpyridine

4-(1-bromoethyl)-2-methoxy-6-methylpyridine (PubChem CID 146278364) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 4-(1-bromoethyl)-2-methoxy-6-methylpyridine.

Molecular Properties

Compound Name4-(1-bromoethyl)-2-methoxy-6-methylpyridine
PubChem CID146278364
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name4-(1-bromoethyl)-2-methoxy-6-methylpyridine
SMILESCOc1cc(C(C)Br)cc(C)n1
InChIInChI=1S/C9H12BrNO/c1-6-4-8(7(2)10)5-9(11-6)12-3/h4-5,7H,1-3H3
InChIKeyGSSZTSMNBNGXLP-UHFFFAOYSA-N
XLogP2.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-bromoethyl)-2,6-dimethoxyphenol
CID 134832276
N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine
CID 112635692
2-(difluoromethyl)-4-methoxy-6-methylpyrimidine
CID 176691048
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
CID 112691017
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
2-[4-(1-bromoethyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 106838651
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea
CID 100775447
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
(2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid
CID 142728980
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
N-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)-2-methoxy-6-methylpyridine?
The IUPAC name of 4-(1-bromoethyl)-2-methoxy-6-methylpyridine (CID 146278364) is 4-(1-bromoethyl)-2-methoxy-6-methylpyridine.
What is the SMILES notation for 4-(1-bromoethyl)-2-methoxy-6-methylpyridine?
The canonical SMILES for 4-(1-bromoethyl)-2-methoxy-6-methylpyridine is COc1cc(C(C)Br)cc(C)n1.
What is the InChIKey of 4-(1-bromoethyl)-2-methoxy-6-methylpyridine?
The InChIKey is GSSZTSMNBNGXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6-4-8(7(2)10)5-9(11-6)12-3/h4-5,7H,1-3H3.
What are the key properties of 4-(1-bromoethyl)-2-methoxy-6-methylpyridine?
4-(1-bromoethyl)-2-methoxy-6-methylpyridine has a molecular weight of 230.10 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-2-methoxy-6-methylpyridine is sourced from PubChem (CID 146278364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).