3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine

C12H17ClN2O — CID 156848717

IUPAC3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine
SMILESCC1(C)CCNC1COc1ncccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-12(2)5-7-14-10(12)8-16-11-9(13)4-3-6-15-11/h3-4,6,10,14H,5,7-8H2,1-2H3
InChIKeyKDSYXMKGJPQWOJ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.50
Rot. Bonds3

About 3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine

3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine (PubChem CID 156848717) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine
PubChem CID156848717
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine
SMILESCC1(C)CCNC1COc1ncccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-12(2)5-7-14-10(12)8-16-11-9(13)4-3-6-15-11/h3-4,6,10,14H,5,7-8H2,1-2H3
InChIKeyKDSYXMKGJPQWOJ-UHFFFAOYSA-N
XLogP2.50
TPSA34.15 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 94406451
3-chloro-2-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 162422899
3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine
CID 156848425
4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
CID 126955026
3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine
CID 166808122
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
3-chloro-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796420
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
CID 163354645
1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride
CID 71756745
4-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 163354714
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine?
The IUPAC name of 3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine (CID 156848717) is 3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine.
What is the SMILES notation for 3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine?
The canonical SMILES for 3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine is CC1(C)CCNC1COc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine?
The InChIKey is KDSYXMKGJPQWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(2)5-7-14-10(12)8-16-11-9(13)4-3-6-15-11/h3-4,6,10,14H,5,7-8H2,1-2H3.
What are the key properties of 3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine?
3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine has a molecular weight of 240.73 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine is sourced from PubChem (CID 156848717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).