1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol

C10H13ClN2O2 — CID 106668639

IUPAC1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
SMILESOC1CN(Cc2cccnc2Cl)CC1O
InChIInChI=1S/C10H13ClN2O2/c11-10-7(2-1-3-12-10)4-13-5-8(14)9(15)6-13/h1-3,8-9,14-15H,4-6H2
InChIKeyQUNMVCJIVZEQKO-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.27
Rot. Bonds2

About 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol

1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol (PubChem CID 106668639) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
PubChem CID106668639
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
SMILESOC1CN(Cc2cccnc2Cl)CC1O
InChIInChI=1S/C10H13ClN2O2/c11-10-7(2-1-3-12-10)4-13-5-8(14)9(15)6-13/h1-3,8-9,14-15H,4-6H2
InChIKeyQUNMVCJIVZEQKO-UHFFFAOYSA-N
XLogP0.27
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]pyrrolidin-3-ol
CID 62916132
2-[(2-chloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 62470912
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
CID 115688607
1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 111113737
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
CID 145106063
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
1-[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63103864
1-tert-butyl-4-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471632
1-[(2-chloro-3-pyridinyl)methyl]-1,4-diazepane
CID 62471077
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol (CID 106668639) is 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol is OC1CN(Cc2cccnc2Cl)CC1O.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol?
The InChIKey is QUNMVCJIVZEQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-10-7(2-1-3-12-10)4-13-5-8(14)9(15)6-13/h1-3,8-9,14-15H,4-6H2.
What are the key properties of 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol?
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol has a molecular weight of 228.68 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106668639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).