3-(azetidin-2-yl)-5-chloro-2-methoxypyridine

C9H11ClN2O — CID 55272549

IUPAC3-(azetidin-2-yl)-5-chloro-2-methoxypyridine
SMILESCOc1ncc(Cl)cc1C1CCN1
InChIInChI=1S/C9H11ClN2O/c1-13-9-7(8-2-3-11-8)4-6(10)5-12-9/h4-5,8,11H,2-3H2,1H3
InChIKeyDVCSRPYPEYBFEY-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.78
Rot. Bonds2

About 3-(azetidin-2-yl)-5-chloro-2-methoxypyridine

3-(azetidin-2-yl)-5-chloro-2-methoxypyridine (PubChem CID 55272549) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-(azetidin-2-yl)-5-chloro-2-methoxypyridine.

Molecular Properties

Compound Name3-(azetidin-2-yl)-5-chloro-2-methoxypyridine
PubChem CID55272549
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-(azetidin-2-yl)-5-chloro-2-methoxypyridine
SMILESCOc1ncc(Cl)cc1C1CCN1
InChIInChI=1S/C9H11ClN2O/c1-13-9-7(8-2-3-11-8)4-6(10)5-12-9/h4-5,8,11H,2-3H2,1H3
InChIKeyDVCSRPYPEYBFEY-UHFFFAOYSA-N
XLogP1.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine
CID 130663764
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
5-fluoro-2-methoxy-3-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 142533269
5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine;hydrochloride
CID 154957348
4-[(2R)-azetidin-2-yl]-2,5-dichloropyridine
CID 130673471
5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55273654
5-chloro-2,3-dimethoxypyridine;hydrochloride
CID 91759024
5-chloro-3-ethoxy-2-methoxypyridine
CID 53217397
2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 131072200
3-[(2R)-azetidin-2-yl]-5-chloropyridine
CID 130691845
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
(2S)-2-(5-chloro-2-ethylphenyl)azetidine
CID 55269141

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-2-yl)-5-chloro-2-methoxypyridine?
The IUPAC name of 3-(azetidin-2-yl)-5-chloro-2-methoxypyridine (CID 55272549) is 3-(azetidin-2-yl)-5-chloro-2-methoxypyridine.
What is the SMILES notation for 3-(azetidin-2-yl)-5-chloro-2-methoxypyridine?
The canonical SMILES for 3-(azetidin-2-yl)-5-chloro-2-methoxypyridine is COc1ncc(Cl)cc1C1CCN1.
What is the InChIKey of 3-(azetidin-2-yl)-5-chloro-2-methoxypyridine?
The InChIKey is DVCSRPYPEYBFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-13-9-7(8-2-3-11-8)4-6(10)5-12-9/h4-5,8,11H,2-3H2,1H3.
What are the key properties of 3-(azetidin-2-yl)-5-chloro-2-methoxypyridine?
3-(azetidin-2-yl)-5-chloro-2-methoxypyridine has a molecular weight of 198.65 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-2-yl)-5-chloro-2-methoxypyridine is sourced from PubChem (CID 55272549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).