2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol

C12H17ClN2O — CID 115648053

IUPAC2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2ccnc(Cl)c2)C1
InChIInChI=1S/C12H17ClN2O/c13-12-7-11(1-4-14-12)9-15-5-2-10(8-15)3-6-16/h1,4,7,10,16H,2-3,5-6,8-9H2
InChIKeyMMEAAQSILHACFF-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol

2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115648053) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115648053
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2ccnc(Cl)c2)C1
InChIInChI=1S/C12H17ClN2O/c13-12-7-11(1-4-14-12)9-15-5-2-10(8-15)3-6-16/h1,4,7,10,16H,2-3,5-6,8-9H2
InChIKeyMMEAAQSILHACFF-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738
2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690
4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide
CID 114797902
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
CID 62305973
(3S,4R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 79410495
2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 114799922
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061
[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 97169730
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
2-[(2-chloro-4-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78945351
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol (CID 115648053) is 2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(Cc2ccnc(Cl)c2)C1.
What is the InChIKey of 2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is MMEAAQSILHACFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-12-7-11(1-4-14-12)9-15-5-2-10(8-15)3-6-16/h1,4,7,10,16H,2-3,5-6,8-9H2.
What are the key properties of 2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 240.73 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).