3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal

C10H13BrN2O — CID 138671295

IUPAC3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal
SMILESCN(C)c1ncc(Br)cc1CCC=O
InChIInChI=1S/C10H13BrN2O/c1-13(2)10-8(4-3-5-14)6-9(11)7-12-10/h5-7H,3-4H2,1-2H3
InChIKeyAJSBMNXOXCPENY-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.04
Rot. Bonds4

About 3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal

3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal (PubChem CID 138671295) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal.

Molecular Properties

Compound Name3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal
PubChem CID138671295
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal
SMILESCN(C)c1ncc(Br)cc1CCC=O
InChIInChI=1S/C10H13BrN2O/c1-13(2)10-8(4-3-5-14)6-9(11)7-12-10/h5-7H,3-4H2,1-2H3
InChIKeyAJSBMNXOXCPENY-UHFFFAOYSA-N
XLogP2.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-2-(dimethylamino)-3-pyridinyl]methyl cyclopropanecarboxylate
CID 166293900
5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine
CID 118249147
ethyl 2-[[5-bromo-2-(dimethylamino)-3-pyridinyl]-formylamino]acetate
CID 163574241
3-(5-bromo-2-fluoro-3-methylphenyl)propanal
CID 117363991
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059305
N'-[5-bromo-3-(chloromethyl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700610
3-(5-bromo-4-methyl-3-pyridinyl)propanal
CID 75406621
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
[5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol
CID 79849578
5-bromo-N-tert-butyl-N,3-dimethylpyridin-2-amine
CID 115148475

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal?
The IUPAC name of 3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal (CID 138671295) is 3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal.
What is the SMILES notation for 3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal?
The canonical SMILES for 3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal is CN(C)c1ncc(Br)cc1CCC=O.
What is the InChIKey of 3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal?
The InChIKey is AJSBMNXOXCPENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-13(2)10-8(4-3-5-14)6-9(11)7-12-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal?
3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal has a molecular weight of 257.13 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal is sourced from PubChem (CID 138671295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).