2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine

C13H17ClN2 — CID 159657303

IUPAC2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine
SMILESC=C1CCN1c1cc(Cl)cnc1C(C)(C)C
InChIInChI=1S/C13H17ClN2/c1-9-5-6-16(9)11-7-10(14)8-15-12(11)13(2,3)4/h7-8H,1,5-6H2,2-4H3
InChIKeyGLMPYRHKYIVWSS-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.76
Rot. Bonds1

About 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine

2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine (PubChem CID 159657303) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine
PubChem CID159657303
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine
SMILESC=C1CCN1c1cc(Cl)cnc1C(C)(C)C
InChIInChI=1S/C13H17ClN2/c1-9-5-6-16(9)11-7-10(14)8-15-12(11)13(2,3)4/h7-8H,1,5-6H2,2-4H3
InChIKeyGLMPYRHKYIVWSS-UHFFFAOYSA-N
XLogP3.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-tert-butyl-5-chloro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139473206
2-tert-butyl-5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridine
CID 139472815
2-(3,5-dichloro-2-pyridinyl)propan-2-amine
CID 130160714
2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol
CID 84670350
3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one
CID 164757517
(2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol
CID 130613603
5-chloro-3-(1-hydrazinyl-2-methyl-2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 105239648
(2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid
CID 130865698
6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole
CID 175896930
1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol
CID 114795065
2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid
CID 21288449
4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582470

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine?
The IUPAC name of 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine (CID 159657303) is 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine?
The canonical SMILES for 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine is C=C1CCN1c1cc(Cl)cnc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine?
The InChIKey is GLMPYRHKYIVWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-9-5-6-16(9)11-7-10(14)8-15-12(11)13(2,3)4/h7-8H,1,5-6H2,2-4H3.
What are the key properties of 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine?
2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine has a molecular weight of 236.75 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloro-3-(2-methylideneazetidin-1-yl)pyridine is sourced from PubChem (CID 159657303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).