3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine

C11H15ClN2 — CID 166469655

IUPAC3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine
SMILESCC(C)N1CC(c2cncc(Cl)c2)C1
InChIInChI=1S/C11H15ClN2/c1-8(2)14-6-10(7-14)9-3-11(12)5-13-4-9/h3-5,8,10H,6-7H2,1-2H3
InChIKeyQYUVXDCLCBCRRV-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.54
Rot. Bonds2

About 3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine

3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine (PubChem CID 166469655) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine
PubChem CID166469655
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine
SMILESCC(C)N1CC(c2cncc(Cl)c2)C1
InChIInChI=1S/C11H15ClN2/c1-8(2)14-6-10(7-14)9-3-11(12)5-13-4-9/h3-5,8,10H,6-7H2,1-2H3
InChIKeyQYUVXDCLCBCRRV-UHFFFAOYSA-N
XLogP2.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine?
The IUPAC name of 3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine (CID 166469655) is 3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine.
What is the SMILES notation for 3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine?
The canonical SMILES for 3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine is CC(C)N1CC(c2cncc(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine?
The InChIKey is QYUVXDCLCBCRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-8(2)14-6-10(7-14)9-3-11(12)5-13-4-9/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine?
3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-propan-2-ylazetidin-3-yl)pyridine is sourced from PubChem (CID 166469655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).