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

C11H15ClN2O — CID 79037993

IUPAC[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2cccc(Cl)n2)C1
InChIInChI=1S/C11H15ClN2O/c12-11-3-1-2-10(13-11)7-14-5-4-9(6-14)8-15/h1-3,9,15H,4-8H2
InChIKeyHRHXWBDQCIKKKD-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.55
Rot. Bonds3

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

[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 79037993) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID79037993
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2cccc(Cl)n2)C1
InChIInChI=1S/C11H15ClN2O/c12-11-3-1-2-10(13-11)7-14-5-4-9(6-14)8-15/h1-3,9,15H,4-8H2
InChIKeyHRHXWBDQCIKKKD-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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

2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
[1-(pyridazin-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 106897852
1-[(6-chloro-2-pyridinyl)methyl]-4-ethylazepane
CID 79038526
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[1-[[6-(methylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 79242797
1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine
CID 79038510
2-chloro-6-(piperidin-1-ylmethyl)pyridine
CID 13388686
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79037926
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
CID 79039473

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol (CID 79037993) is [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol is OCC1CCN(Cc2cccc(Cl)n2)C1.
What is the InChIKey of [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is HRHXWBDQCIKKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-3-1-2-10(13-11)7-14-5-4-9(6-14)8-15/h1-3,9,15H,4-8H2.
What are the key properties of [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 226.71 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 79037993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).