3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine

C12H17Cl2N3 — CID 55243747

IUPAC3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c13-9-7-11(14)12(16-8-9)17-6-2-4-10(17)3-1-5-15/h7-8,10H,1-6,15H2
InChIKeyTZYGOEKTOUYRON-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.10
Rot. Bonds4

About 3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine

3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 55243747) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
PubChem CID55243747
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c13-9-7-11(14)12(16-8-9)17-6-2-4-10(17)3-1-5-15/h7-8,10H,1-6,15H2
InChIKeyTZYGOEKTOUYRON-UHFFFAOYSA-N
XLogP3.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine (CID 55243747) is 3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine is NCCCC1CCCN1c1ncc(Cl)cc1Cl.
What is the InChIKey of 3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is TZYGOEKTOUYRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3/c13-9-7-11(14)12(16-8-9)17-6-2-4-10(17)3-1-5-15/h7-8,10H,1-6,15H2.
What are the key properties of 3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 274.19 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 55243747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).