2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine

C12H17ClN2O — CID 64569738

IUPAC2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCOCC1CCN(Cc2ccnc(Cl)c2)C1
InChIInChI=1S/C12H17ClN2O/c1-16-9-11-3-5-15(8-11)7-10-2-4-14-12(13)6-10/h2,4,6,11H,3,5,7-9H2,1H3
InChIKeyVPCZAOQSJYIMIE-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.20
Rot. Bonds4

About 2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine

2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 64569738) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
PubChem CID64569738
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCOCC1CCN(Cc2ccnc(Cl)c2)C1
InChIInChI=1S/C12H17ClN2O/c1-16-9-11-3-5-15(8-11)7-10-2-4-14-12(13)6-10/h2,4,6,11H,3,5,7-9H2,1H3
InChIKeyVPCZAOQSJYIMIE-UHFFFAOYSA-N
XLogP2.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648053
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
CID 62305973
2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
CID 103757063
2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 55069209
1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole
CID 99937518
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
(3S,4R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 79410495
3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64570103
1-[(4-chloro-3-nitrophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 64569921
2-[(2-chloro-4-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78945351
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine (CID 64569738) is 2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine is COCC1CCN(Cc2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is VPCZAOQSJYIMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-9-11-3-5-15(8-11)7-10-2-4-14-12(13)6-10/h2,4,6,11H,3,5,7-9H2,1H3.
What are the key properties of 2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 240.73 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 64569738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).