3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine

C13H19ClN2O — CID 156848425

IUPAC3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine
SMILESCN1CC(C)(C)CC1COc1ncccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-13(2)7-10(16(3)9-13)8-17-12-11(14)5-4-6-15-12/h4-6,10H,7-9H2,1-3H3
InChIKeyXPWKZRSGZFLPIU-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.84
Rot. Bonds3

About 3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine

3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine (PubChem CID 156848425) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine
PubChem CID156848425
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine
SMILESCN1CC(C)(C)CC1COc1ncccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-13(2)7-10(16(3)9-13)8-17-12-11(14)5-4-6-15-12/h4-6,10H,7-9H2,1-3H3
InChIKeyXPWKZRSGZFLPIU-UHFFFAOYSA-N
XLogP2.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine
CID 156848717
4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
CID 126955026
3-chloro-2-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 162422899
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 94406451
1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane
CID 156848196
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
2-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-amine
CID 117096154
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
CID 163354645
3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
CID 163352657
2-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-sulfonamide
CID 112573106
1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride
CID 71756745

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine?
The IUPAC name of 3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine (CID 156848425) is 3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine.
What is the SMILES notation for 3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine?
The canonical SMILES for 3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine is CN1CC(C)(C)CC1COc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine?
The InChIKey is XPWKZRSGZFLPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2)7-10(16(3)9-13)8-17-12-11(14)5-4-6-15-12/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine?
3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine has a molecular weight of 254.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine is sourced from PubChem (CID 156848425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).