(3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol

C13H17ClN2O — CID 72857157

IUPAC(3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ccc(Cl)cn2)C[C@@]1(O)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-9-7-16(8-13(9,17)10-2-3-10)12-5-4-11(14)6-15-12/h4-6,9-10,17H,2-3,7-8H2,1H3/t9-,13+/m1/s1
InChIKeyQVZJCQQMRBUIRZ-RNCFNFMXSA-N
MW252.74 g/mol
LogP2.33
Rot. Bonds2

About (3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol

(3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol (PubChem CID 72857157) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol
PubChem CID72857157
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ccc(Cl)cn2)C[C@@]1(O)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-9-7-16(8-13(9,17)10-2-3-10)12-5-4-11(14)6-15-12/h4-6,9-10,17H,2-3,7-8H2,1H3/t9-,13+/m1/s1
InChIKeyQVZJCQQMRBUIRZ-RNCFNFMXSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol (CID 72857157) is (3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol is C[C@@H]1CN(c2ccc(Cl)cn2)C[C@@]1(O)C1CC1.
What is the InChIKey of (3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol?
The InChIKey is QVZJCQQMRBUIRZ-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-7-16(8-13(9,17)10-2-3-10)12-5-4-11(14)6-15-12/h4-6,9-10,17H,2-3,7-8H2,1H3/t9-,13+/m1/s1.
What are the key properties of (3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol?
(3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol has a molecular weight of 252.74 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-chloro-2-pyridinyl)-3-cyclopropyl-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 72857157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).