(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine

C9H12BrN3 — CID 124595065

IUPAC(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2ccncc2Br)C1
InChIInChI=1S/C9H12BrN3/c10-8-5-12-3-1-9(8)13-4-2-7(11)6-13/h1,3,5,7H,2,4,6,11H2/t7-/m0/s1
InChIKeyLDAKYCWXMPAAMP-ZETCQYMHSA-N
MW242.12 g/mol
LogP1.38
Rot. Bonds1

About (3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine

(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine (PubChem CID 124595065) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is (3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
PubChem CID124595065
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2ccncc2Br)C1
InChIInChI=1S/C9H12BrN3/c10-8-5-12-3-1-9(8)13-4-2-7(11)6-13/h1,3,5,7H,2,4,6,11H2/t7-/m0/s1
InChIKeyLDAKYCWXMPAAMP-ZETCQYMHSA-N
XLogP1.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine (CID 124595065) is (3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine is N[C@H]1CCN(c2ccncc2Br)C1.
What is the InChIKey of (3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine?
The InChIKey is LDAKYCWXMPAAMP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-8-5-12-3-1-9(8)13-4-2-7(11)6-13/h1,3,5,7H,2,4,6,11H2/t7-/m0/s1.
What are the key properties of (3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine?
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine has a molecular weight of 242.12 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 124595065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).