4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one

C9H9ClN2O2 — CID 130150204

IUPAC4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one
SMILESO=C1NC(c2ccncc2Cl)CCO1
InChIInChI=1S/C9H9ClN2O2/c10-7-5-11-3-1-6(7)8-2-4-14-9(13)12-8/h1,3,5,8H,2,4H2,(H,12,13)
InChIKeyUNCQQJNVJWUAKD-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.91
Rot. Bonds1

About 4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one

4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one (PubChem CID 130150204) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one
PubChem CID130150204
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one
SMILESO=C1NC(c2ccncc2Cl)CCO1
InChIInChI=1S/C9H9ClN2O2/c10-7-5-11-3-1-6(7)8-2-4-14-9(13)12-8/h1,3,5,8H,2,4H2,(H,12,13)
InChIKeyUNCQQJNVJWUAKD-UHFFFAOYSA-N
XLogP1.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
(4S)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one
CID 131592741
(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184995
4-[(2S)-azetidin-2-yl]-3-chloropyridine;hydrochloride
CID 171196638
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 130613625
3-(3-chloro-4-pyridinyl)morpholine
CID 55273452
(4S)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185722
(4R)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185134
2-(3-chloro-4-pyridinyl)azepane
CID 4542495
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one?
The IUPAC name of 4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one (CID 130150204) is 4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one?
The canonical SMILES for 4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one is O=C1NC(c2ccncc2Cl)CCO1.
What is the InChIKey of 4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one?
The InChIKey is UNCQQJNVJWUAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-7-5-11-3-1-6(7)8-2-4-14-9(13)12-8/h1,3,5,8H,2,4H2,(H,12,13).
What are the key properties of 4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one?
4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one has a molecular weight of 212.64 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyridinyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 130150204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).