2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine

C8H9BrN2O — CID 164558820

IUPAC2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine
SMILESCOc1ccc(C(Br)=CN)nc1
InChIInChI=1S/C8H9BrN2O/c1-12-6-2-3-8(11-5-6)7(9)4-10/h2-5H,10H2,1H3
InChIKeyOBDHCTVLHWWWOH-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.74
Rot. Bonds2

About 2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine

2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine (PubChem CID 164558820) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine.

Molecular Properties

Compound Name2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine
PubChem CID164558820
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine
SMILESCOc1ccc(C(Br)=CN)nc1
InChIInChI=1S/C8H9BrN2O/c1-12-6-2-3-8(11-5-6)7(9)4-10/h2-5H,10H2,1H3
InChIKeyOBDHCTVLHWWWOH-UHFFFAOYSA-N
XLogP1.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
N',5-dimethoxypyridine-2-carboximidamide
CID 123379844
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
(4-bromophenyl)-(5-methoxy-2-pyridinyl)methanone
CID 170712986
N-(2-amino-2-oxoethyl)-5-methoxypyridine-2-carboxamide
CID 70798134
methyl 2-[(5-methoxypyridine-2-carbonyl)amino]acetate
CID 70798080
5-methoxy-N'-piperidin-4-ylpyridine-2-carboximidamide
CID 144934608
5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990840
2-(5-methoxy-2-pyridinyl)butan-2-amine
CID 130545492
5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
CID 79794336
5-(3-methoxypropoxy)pyridine-2-carbothioamide
CID 115488901
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine?
The IUPAC name of 2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine (CID 164558820) is 2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine.
What is the SMILES notation for 2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine?
The canonical SMILES for 2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine is COc1ccc(C(Br)=CN)nc1.
What is the InChIKey of 2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine?
The InChIKey is OBDHCTVLHWWWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-12-6-2-3-8(11-5-6)7(9)4-10/h2-5H,10H2,1H3.
What are the key properties of 2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine?
2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine has a molecular weight of 229.08 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(5-methoxy-2-pyridinyl)ethenamine is sourced from PubChem (CID 164558820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).