6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

C11H16BrN3 — CID 62406758

IUPAC6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CNc2cccc(Br)n2)C1
InChIInChI=1S/C11H16BrN3/c1-15-6-5-9(8-15)7-13-11-4-2-3-10(12)14-11/h2-4,9H,5-8H2,1H3,(H,13,14)
InChIKeyIRVDEWDNLRMMTA-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.21
Rot. Bonds3

About 6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (PubChem CID 62406758) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
PubChem CID62406758
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CNc2cccc(Br)n2)C1
InChIInChI=1S/C11H16BrN3/c1-15-6-5-9(8-15)7-13-11-4-2-3-10(12)14-11/h2-4,9H,5-8H2,1H3,(H,13,14)
InChIKeyIRVDEWDNLRMMTA-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 62406600
6-bromo-N-(cyclopentylmethyl)pyridin-2-amine
CID 63963007
6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79070964
6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
CID 80647279
6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine
CID 76740997
6-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63591478
6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine
CID 130775007
6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine
CID 130783828
6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80791828
6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63960908
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60856626

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (CID 62406758) is 6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is CN1CCC(CNc2cccc(Br)n2)C1.
What is the InChIKey of 6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is IRVDEWDNLRMMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-15-6-5-9(8-15)7-13-11-4-2-3-10(12)14-11/h2-4,9H,5-8H2,1H3,(H,13,14).
What are the key properties of 6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 270.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62406758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).