[1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine

C12H17Br2N3 — CID 120781080

IUPAC[1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H17Br2N3/c1-12(7-15)2-3-17(8-12)6-11-10(14)4-9(13)5-16-11/h4-5H,2-3,6-8,15H2,1H3
InChIKeyIPRXZXPQFVMPFE-UHFFFAOYSA-N
MW363.10 g/mol
LogP2.78
Rot. Bonds3

About [1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120781080) has the molecular formula C12H17Br2N3 and a molecular weight of 363.10 g/mol. Its IUPAC name is [1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120781080
Molecular FormulaC12H17Br2N3
Molecular Weight363.10 g/mol
Exact Mass360.98
IUPAC Name[1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H17Br2N3/c1-12(7-15)2-3-17(8-12)6-11-10(14)4-9(13)5-16-11/h4-5H,2-3,6-8,15H2,1H3
InChIKeyIPRXZXPQFVMPFE-UHFFFAOYSA-N
XLogP2.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.10
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120781080) is [1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(Cc2ncc(Br)cc2Br)C1.
What is the InChIKey of [1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is IPRXZXPQFVMPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N3/c1-12(7-15)2-3-17(8-12)6-11-10(14)4-9(13)5-16-11/h4-5H,2-3,6-8,15H2,1H3.
What are the key properties of [1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 363.10 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dibromo-2-pyridinyl)methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120781080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).