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

C12H17ClN2O — CID 102778604

IUPAC[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cccc(Cl)n2)C1CO
InChIInChI=1S/C12H17ClN2O/c1-9-5-6-15(11(9)8-16)7-10-3-2-4-12(13)14-10/h2-4,9,11,16H,5-8H2,1H3
InChIKeyPLUOKLGCMCDZNP-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.94
Rot. Bonds3

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

[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102778604) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102778604
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cccc(Cl)n2)C1CO
InChIInChI=1S/C12H17ClN2O/c1-9-5-6-15(11(9)8-16)7-10-3-2-4-12(13)14-10/h2-4,9,11,16H,5-8H2,1H3
InChIKeyPLUOKLGCMCDZNP-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.94
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

methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905300
[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778580
[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79037926
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
[3-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788132
[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811
[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
[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787791

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102778604) is [1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(Cc2cccc(Cl)n2)C1CO.
What is the InChIKey of [1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is PLUOKLGCMCDZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-5-6-15(11(9)8-16)7-10-3-2-4-12(13)14-10/h2-4,9,11,16H,5-8H2,1H3.
What are the key properties of [1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 240.73 g/mol, XLogP of 1.94, 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]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102778604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).