3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine

C12H16Cl2N2O — CID 64570103

IUPAC3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCOCC1CCN(Cc2nc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H16Cl2N2O/c1-17-8-9-4-5-16(6-9)7-11-10(13)2-3-12(14)15-11/h2-3,9H,4-8H2,1H3
InChIKeyGFWOIEFGCWBXGB-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.86
Rot. Bonds4

About 3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine

3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 64570103) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
PubChem CID64570103
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCOCC1CCN(Cc2nc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H16Cl2N2O/c1-17-8-9-4-5-16(6-9)7-11-10(13)2-3-12(14)15-11/h2-3,9H,4-8H2,1H3
InChIKeyGFWOIEFGCWBXGB-UHFFFAOYSA-N
XLogP2.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.86
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

(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 94889758
3,6-dichloro-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 62995997
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine
CID 102985057
3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 62892140
methyl 1-[(3,6-dichloro-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 113330922
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738
5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine
CID 103538581
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
4-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]morpholine
CID 63169707
3,6-dichloro-2-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 55127726
5-chloro-6-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62892230

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine (CID 64570103) is 3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine is COCC1CCN(Cc2nc(Cl)ccc2Cl)C1.
What is the InChIKey of 3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is GFWOIEFGCWBXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-17-8-9-4-5-16(6-9)7-11-10(13)2-3-12(14)15-11/h2-3,9H,4-8H2,1H3.
What are the key properties of 3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 275.18 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 64570103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).