(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol

C10H13ClN2O — CID 79031489

IUPAC(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ccncc2Cl)C1
InChIInChI=1S/C10H13ClN2O/c11-10-5-12-3-1-8(10)6-13-4-2-9(14)7-13/h1,3,5,9,14H,2,4,6-7H2/t9-/m0/s1
InChIKeyRYHLJGADJOBXIF-VIFPVBQESA-N
MW212.68 g/mol
LogP1.30
Rot. Bonds2

About (3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol

(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol (PubChem CID 79031489) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is (3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
PubChem CID79031489
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ccncc2Cl)C1
InChIInChI=1S/C10H13ClN2O/c11-10-5-12-3-1-8(10)6-13-4-2-9(14)7-13/h1,3,5,9,14H,2,4,6-7H2/t9-/m0/s1
InChIKeyRYHLJGADJOBXIF-VIFPVBQESA-N
XLogP1.30
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682329
1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553973
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]acetic acid
CID 79608115
[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
CID 71906954
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
4-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 106838415
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
N-[[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56749033
1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914421
1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 62917165
(3S)-1-[(3-chloro-2-methylphenyl)methyl]pyrrolidin-3-ol
CID 93478443
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol (CID 79031489) is (3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol is O[C@H]1CCN(Cc2ccncc2Cl)C1.
What is the InChIKey of (3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol?
The InChIKey is RYHLJGADJOBXIF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-10-5-12-3-1-8(10)6-13-4-2-9(14)7-13/h1,3,5,9,14H,2,4,6-7H2/t9-/m0/s1.
What are the key properties of (3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol?
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol has a molecular weight of 212.68 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 79031489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).