1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol

C10H13ClN2O — CID 62916132

IUPAC1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2cccnc2Cl)C1
InChIInChI=1S/C10H13ClN2O/c11-10-8(2-1-4-12-10)6-13-5-3-9(14)7-13/h1-2,4,9,14H,3,5-7H2
InChIKeyICKVIQAIQJBKCR-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.30
Rot. Bonds2

About 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol

1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol (PubChem CID 62916132) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
PubChem CID62916132
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2cccnc2Cl)C1
InChIInChI=1S/C10H13ClN2O/c11-10-8(2-1-4-12-10)6-13-5-3-9(14)7-13/h1-2,4,9,14H,3,5-7H2
InChIKeyICKVIQAIQJBKCR-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 106668639
2-[(2-chloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 62470912
2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
CID 115688607
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
CID 145106063
1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 111113737
3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 62943758
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 130576098
(3S)-1-[(3-chloro-2-methylphenyl)methyl]pyrrolidin-3-ol
CID 93478443
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol (CID 62916132) is 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol is OC1CCN(Cc2cccnc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol?
The InChIKey is ICKVIQAIQJBKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-10-8(2-1-4-12-10)6-13-5-3-9(14)7-13/h1-2,4,9,14H,3,5-7H2.
What are the key properties of 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol?
1-[(2-chloro-3-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 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62916132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).