3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine

C10H12BrN3 — CID 146907148

IUPAC3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine
SMILESC/N=C/C(Br)=C(N)Cc1cccnc1
InChIInChI=1S/C10H12BrN3/c1-13-7-9(11)10(12)5-8-3-2-4-14-6-8/h2-4,6-7H,5,12H2,1H3/b10-9?,13-7+
InChIKeyXECJFHIUZCHBEY-FHAVEDARSA-N
MW254.13 g/mol
LogP1.89
Rot. Bonds3

About 3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine

3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine (PubChem CID 146907148) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine.

Molecular Properties

Compound Name3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine
PubChem CID146907148
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine
SMILESC/N=C/C(Br)=C(N)Cc1cccnc1
InChIInChI=1S/C10H12BrN3/c1-13-7-9(11)10(12)5-8-3-2-4-14-6-8/h2-4,6-7H,5,12H2,1H3/b10-9?,13-7+
InChIKeyXECJFHIUZCHBEY-FHAVEDARSA-N
XLogP1.89
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-methylimino-1-pyridin-4-ylprop-1-en-1-amine
CID 144666599
bromomethane;pyridin-3-ylmethanol
CID 158702197
[(1E)-3-methylbuta-1,3-dienyl] N-methyl-2-pyridin-3-ylethanimidothioate
CID 142225913
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456
(E)-1-pyridin-3-ylpent-3-en-2-one
CID 103453253
[(E)-2-pyridin-3-ylethylideneamino]thiourea
CID 91937877
2-pyridin-3-ylacetyl chloride
CID 14697475
CID 66868100
CID 66868100
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
3-ethylpyridine
CID 10823
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine?
The IUPAC name of 3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine (CID 146907148) is 3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine.
What is the SMILES notation for 3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine?
The canonical SMILES for 3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine is C/N=C/C(Br)=C(N)Cc1cccnc1.
What is the InChIKey of 3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine?
The InChIKey is XECJFHIUZCHBEY-FHAVEDARSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-13-7-9(11)10(12)5-8-3-2-4-14-6-8/h2-4,6-7H,5,12H2,1H3/b10-9?,13-7+.
What are the key properties of 3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine?
3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine has a molecular weight of 254.13 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methylimino-1-pyridin-3-ylbut-2-en-2-amine is sourced from PubChem (CID 146907148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).