1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C12H17BrClN3 — CID 106321819

IUPAC1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C12H17BrClN3/c1-12(7-15-2)3-4-17(8-12)11-10(13)5-9(14)6-16-11/h5-6,15H,3-4,7-8H2,1-2H3
InChIKeyHSPNMBDCAMJSNI-UHFFFAOYSA-N
MW318.65 g/mol
LogP2.93
Rot. Bonds3

About 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106321819) has the molecular formula C12H17BrClN3 and a molecular weight of 318.65 g/mol. Its IUPAC name is 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106321819
Molecular FormulaC12H17BrClN3
Molecular Weight318.65 g/mol
Exact Mass317.03
IUPAC Name1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C12H17BrClN3/c1-12(7-15-2)3-4-17(8-12)11-10(13)5-9(14)6-16-11/h5-6,15H,3-4,7-8H2,1-2H3
InChIKeyHSPNMBDCAMJSNI-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.65
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol
CID 100693917
1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321701
3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine
CID 114837131
1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052316
1-(3-bromo-5-chloro-2-pyridinyl)-4-methylazepan-4-ol
CID 107407312
N-methyl-1-(3-methyl-1-pyridin-4-ylpyrrolidin-3-yl)methanamine
CID 106321908
4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione
CID 114837207
1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 114836366
1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine
CID 106321968
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylpiperazine
CID 114836752
N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 106321971
1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321981

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106321819) is 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(c2ncc(Cl)cc2Br)C1.
What is the InChIKey of 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is HSPNMBDCAMJSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN3/c1-12(7-15-2)3-4-17(8-12)11-10(13)5-9(14)6-16-11/h5-6,15H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 318.65 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106321819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).