2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine

C9H11BrN2 — CID 169475153

IUPAC2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine
SMILESCc1ccc(N)c(C=CCBr)n1
InChIInChI=1S/C9H11BrN2/c1-7-4-5-8(11)9(12-7)3-2-6-10/h2-5H,6,11H2,1H3
InChIKeyMWCMUTMNNQOLIP-UHFFFAOYSA-N
MW227.11 g/mol
LogP2.38
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine

2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine (PubChem CID 169475153) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine
PubChem CID169475153
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine
SMILESCc1ccc(N)c(C=CCBr)n1
InChIInChI=1S/C9H11BrN2/c1-7-4-5-8(11)9(12-7)3-2-6-10/h2-5H,6,11H2,1H3
InChIKeyMWCMUTMNNQOLIP-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 52.38
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

6-methyl-2-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473261
ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate
CID 170795786
3-amino-6-methylpyridine-2-carbaldehyde
CID 55290763
2-(3-bromoprop-1-enyl)-6-methylpyridine
CID 169475003
4-(3-bromoprop-1-enyl)-2,3-dimethylaniline
CID 169475520
2-(3-bromoprop-1-enyl)-4-methylaniline
CID 169475211
2,6-dimethylpyridin-3-amine;ethane
CID 142906419
6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine
CID 169475126
6-(3-bromoprop-1-enyl)-4-methylpyridin-2-amine
CID 169475152
4-[(E)-3-bromoprop-1-enyl]-2-methylpyrimidine
CID 115530171
6-methyl-2-propylpyridin-3-amine
CID 130537722
6-methyl-2-naphthalen-2-yloxypyridin-3-amine
CID 81131887

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine?
The IUPAC name of 2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine (CID 169475153) is 2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine is Cc1ccc(N)c(C=CCBr)n1.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine?
The InChIKey is MWCMUTMNNQOLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-7-4-5-8(11)9(12-7)3-2-6-10/h2-5H,6,11H2,1H3.
What are the key properties of 2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine?
2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine has a molecular weight of 227.11 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine is sourced from PubChem (CID 169475153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).