2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine

C12H12ClNO — CID 129065740

IUPAC2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine
SMILESC=C1OC=C1c1c(Cl)nc(C)c(C)c1C
InChIInChI=1S/C12H12ClNO/c1-6-7(2)11(10-5-15-9(10)4)12(13)14-8(6)3/h5H,4H2,1-3H3
InChIKeyIQNUNFSTQFYTAZ-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.55
Rot. Bonds1

About 2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine

2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine (PubChem CID 129065740) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine
PubChem CID129065740
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine
SMILESC=C1OC=C1c1c(Cl)nc(C)c(C)c1C
InChIInChI=1S/C12H12ClNO/c1-6-7(2)11(10-5-15-9(10)4)12(13)14-8(6)3/h5H,4H2,1-3H3
InChIKeyIQNUNFSTQFYTAZ-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-iodo-4,5,6-trimethylpyridine
CID 131701568
2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane
CID 177008253
3-bromo-2,4-dichloro-5,6-dimethylpyridine
CID 169250788
2-chloro-4,5,6-trimethylpyrimidine
CID 12501987
2,4-dichloro-5,6-dimethylpyrimidine
CID 156777151
4-chloro-2-(1-chloroethyl)-5-fluoro-6-methylpyrimidine
CID 80663151
5,6-dichloro-2,4-dimethylpyridin-3-amine;ethane
CID 156715440
2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione
CID 58426066
1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
CID 54008423
5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine
CID 59007781
1,2,3,4,5,6-hexamethylbenzene;methane;bis(1,2,3,4,5,6,7,8-octamethylnaphthalene);1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;tris(2,3,4,5,6-pentamethylpyridine);2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)pyridine;bis(2,4,5,6-tetramethylpyrimidine)
CID 158125527
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine?
The IUPAC name of 2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine (CID 129065740) is 2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine.
What is the SMILES notation for 2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine?
The canonical SMILES for 2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine is C=C1OC=C1c1c(Cl)nc(C)c(C)c1C.
What is the InChIKey of 2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine?
The InChIKey is IQNUNFSTQFYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-6-7(2)11(10-5-15-9(10)4)12(13)14-8(6)3/h5H,4H2,1-3H3.
What are the key properties of 2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine?
2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine has a molecular weight of 221.69 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5,6-trimethyl-3-(2-methylideneoxet-3-yl)pyridine is sourced from PubChem (CID 129065740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).