[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine

C10H14ClN3 — CID 87263242

IUPAC[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
SMILESNC[C@H]1CCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C10H14ClN3/c11-10-5-9(1-3-13-10)14-4-2-8(6-12)7-14/h1,3,5,8H,2,4,6-7,12H2/t8-/m1/s1
InChIKeyBQZBRMTYGSOOPE-MRVPVSSYSA-N
MW211.70 g/mol
LogP1.52
Rot. Bonds2

About [(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine

[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine (PubChem CID 87263242) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is [(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
PubChem CID87263242
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
SMILESNC[C@H]1CCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C10H14ClN3/c11-10-5-9(1-3-13-10)14-4-2-8(6-12)7-14/h1,3,5,8H,2,4,6-7,12H2/t8-/m1/s1
InChIKeyBQZBRMTYGSOOPE-MRVPVSSYSA-N
XLogP1.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine (CID 87263242) is [(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine is NC[C@H]1CCN(c2ccnc(Cl)c2)C1.
What is the InChIKey of [(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine?
The InChIKey is BQZBRMTYGSOOPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-10-5-9(1-3-13-10)14-4-2-8(6-12)7-14/h1,3,5,8H,2,4,6-7,12H2/t8-/m1/s1.
What are the key properties of [(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine?
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine has a molecular weight of 211.70 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 87263242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).