4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine

C10H15BrN2 — CID 57271312

IUPAC4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCN1C=C(C=CCCN)C=C(Br)C1
InChIInChI=1S/C10H15BrN2/c1-13-7-9(4-2-3-5-12)6-10(11)8-13/h2,4,6-7H,3,5,8,12H2,1H3
InChIKeyIFODMWJGOVAHTF-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.00
Rot. Bonds3

About 4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine

4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 57271312) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID57271312
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCN1C=C(C=CCCN)C=C(Br)C1
InChIInChI=1S/C10H15BrN2/c1-13-7-9(4-2-3-5-12)6-10(11)8-13/h2,4,6-7H,3,5,8,12H2,1H3
InChIKeyIFODMWJGOVAHTF-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of 4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (CID 57271312) is 4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for 4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is CN1C=C(C=CCCN)C=C(Br)C1.
What is the InChIKey of 4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is IFODMWJGOVAHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13-7-9(4-2-3-5-12)6-10(11)8-13/h2,4,6-7H,3,5,8,12H2,1H3.
What are the key properties of 4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine has a molecular weight of 243.15 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 57271312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).