[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol

C11H15ClN2O — CID 60582294

IUPAC[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O/c12-11-4-3-9(6-13-11)7-14-5-1-2-10(14)8-15/h3-4,6,10,15H,1-2,5,7-8H2
InChIKeyGBXXDFJNFXSNFO-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.69
Rot. Bonds3

About [1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol

[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 60582294) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is [1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID60582294
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O/c12-11-4-3-9(6-13-11)7-14-5-1-2-10(14)8-15/h3-4,6,10,15H,1-2,5,7-8H2
InChIKeyGBXXDFJNFXSNFO-UHFFFAOYSA-N
XLogP1.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.69
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-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 97012606
[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-yl]methanol
CID 62208586
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
CID 97169575
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79037926
[(2S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]azepan-2-yl]methanol
CID 99929248
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118
(6-chloro-3-pyridinyl)methyl (2S)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 86329287

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol (CID 60582294) is [1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of [1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is GBXXDFJNFXSNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-4-3-9(6-13-11)7-14-5-1-2-10(14)8-15/h3-4,6,10,15H,1-2,5,7-8H2.
What are the key properties of [1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 226.71 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 60582294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).