(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine

C10H13Cl2N3 — CID 94889758

IUPAC(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2nc(Cl)ccc2Cl)C1
InChIInChI=1S/C10H13Cl2N3/c11-8-1-2-10(12)14-9(8)6-15-4-3-7(13)5-15/h1-2,7H,3-6,13H2/t7-/m1/s1
InChIKeyXVQWKJUYPUMRIQ-SSDOTTSWSA-N
MW246.14 g/mol
LogP1.92
Rot. Bonds2

About (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine

(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine (PubChem CID 94889758) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine
PubChem CID94889758
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2nc(Cl)ccc2Cl)C1
InChIInChI=1S/C10H13Cl2N3/c11-8-1-2-10(12)14-9(8)6-15-4-3-7(13)5-15/h1-2,7H,3-6,13H2/t7-/m1/s1
InChIKeyXVQWKJUYPUMRIQ-SSDOTTSWSA-N
XLogP1.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 51.92
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

(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine
CID 102985057
3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64570103
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
3,6-dichloro-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 62995997
4-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]morpholine
CID 63169707
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine
CID 71643836
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 62892140
5-chloro-6-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62892230
4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine
CID 62893021
4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 55127533

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine (CID 94889758) is (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine is N[C@@H]1CCN(Cc2nc(Cl)ccc2Cl)C1.
What is the InChIKey of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine?
The InChIKey is XVQWKJUYPUMRIQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c11-8-1-2-10(12)14-9(8)6-15-4-3-7(13)5-15/h1-2,7H,3-6,13H2/t7-/m1/s1.
What are the key properties of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine?
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine has a molecular weight of 246.14 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 94889758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).