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

C11H15ClN2O — CID 79037926

IUPAC[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2O/c12-11-5-1-3-9(13-11)7-14-6-2-4-10(14)8-15/h1,3,5,10,15H,2,4,6-8H2
InChIKeyNHBBOUNPGOMBTG-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.69
Rot. Bonds3

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

[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 79037926) 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-2-yl]methanol.

Molecular Properties

Compound Name[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID79037926
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2O/c12-11-5-1-3-9(13-11)7-14-6-2-4-10(14)8-15/h1,3,5,10,15H,2,4,6-8H2
InChIKeyNHBBOUNPGOMBTG-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-[(6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79243297
[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 78995603
[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778604
[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
CID 97169575
[(2S)-1-[(2-chloro-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 130552786
3-chloro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenol
CID 115882280
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
[1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62890471
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 79037993
2-[(6-chloro-2-pyridinyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038404
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol (CID 79037926) is [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1cccc(Cl)n1.
What is the InChIKey of [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is NHBBOUNPGOMBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-5-1-3-9(13-11)7-14-6-2-4-10(14)8-15/h1,3,5,10,15H,2,4,6-8H2.
What are the key properties of [1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(6-chloro-2-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-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79037926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).