6-(3-bromoprop-1-enyl)pyridin-3-amine

C8H9BrN2 — CID 169474974

IUPAC6-(3-bromoprop-1-enyl)pyridin-3-amine
SMILESNc1ccc(C=CCBr)nc1
InChIInChI=1S/C8H9BrN2/c9-5-1-2-8-4-3-7(10)6-11-8/h1-4,6H,5,10H2
InChIKeyWKEXQHPBBYKSPR-UHFFFAOYSA-N
MW213.08 g/mol
LogP2.07
Rot. Bonds2

About 6-(3-bromoprop-1-enyl)pyridin-3-amine

6-(3-bromoprop-1-enyl)pyridin-3-amine (PubChem CID 169474974) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 6-(3-bromoprop-1-enyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(3-bromoprop-1-enyl)pyridin-3-amine
PubChem CID169474974
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name6-(3-bromoprop-1-enyl)pyridin-3-amine
SMILESNc1ccc(C=CCBr)nc1
InChIInChI=1S/C8H9BrN2/c9-5-1-2-8-4-3-7(10)6-11-8/h1-4,6H,5,10H2
InChIKeyWKEXQHPBBYKSPR-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-bromoprop-1-enyl)pyridine
CID 169476449
6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine
CID 169475126
4-(3-bromoprop-1-enyl)isoquinolin-1-amine
CID 169476161
4-[(E)-3-bromoprop-1-enyl]-2-methylpyrimidine
CID 115530171
4-[4-(3-bromoprop-1-enyl)phenoxy]aniline
CID 169476413
3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one
CID 169474976
2-bromo-5-(3-bromoprop-1-enyl)pyridine
CID 169476448
2-(3-bromoprop-1-enyl)-5-chloropyridin-3-amine
CID 169475127
5-(3-bromoprop-1-enyl)-2-fluoropyridine
CID 169474982
5-(3-bromoprop-1-enyl)-2-methylpyrimidine
CID 169474962
2-(3-bromoprop-1-enyl)-6-methylpyridine
CID 169475003
2-(3-bromoprop-1-enyl)-3,5-dichloropyridine
CID 169475227

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoprop-1-enyl)pyridin-3-amine?
The IUPAC name of 6-(3-bromoprop-1-enyl)pyridin-3-amine (CID 169474974) is 6-(3-bromoprop-1-enyl)pyridin-3-amine.
What is the SMILES notation for 6-(3-bromoprop-1-enyl)pyridin-3-amine?
The canonical SMILES for 6-(3-bromoprop-1-enyl)pyridin-3-amine is Nc1ccc(C=CCBr)nc1.
What is the InChIKey of 6-(3-bromoprop-1-enyl)pyridin-3-amine?
The InChIKey is WKEXQHPBBYKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c9-5-1-2-8-4-3-7(10)6-11-8/h1-4,6H,5,10H2.
What are the key properties of 6-(3-bromoprop-1-enyl)pyridin-3-amine?
6-(3-bromoprop-1-enyl)pyridin-3-amine has a molecular weight of 213.08 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoprop-1-enyl)pyridin-3-amine is sourced from PubChem (CID 169474974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).