2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol

C11H14ClIN2O — CID 166914909

IUPAC2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2nccc(I)c2Cl)C1
InChIInChI=1S/C11H14ClIN2O/c1-11(2,16)7-5-15(6-7)10-9(12)8(13)3-4-14-10/h3-4,7,16H,5-6H2,1-2H3
InChIKeyVCEJEOICFRWYQX-UHFFFAOYSA-N
MW352.60 g/mol
LogP2.55
Rot. Bonds2

About 2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol

2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol (PubChem CID 166914909) has the molecular formula C11H14ClIN2O and a molecular weight of 352.60 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
PubChem CID166914909
Molecular FormulaC11H14ClIN2O
Molecular Weight352.60 g/mol
Exact Mass351.98
IUPAC Name2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2nccc(I)c2Cl)C1
InChIInChI=1S/C11H14ClIN2O/c1-11(2,16)7-5-15(6-7)10-9(12)8(13)3-4-14-10/h3-4,7,16H,5-6H2,1-2H3
InChIKeyVCEJEOICFRWYQX-UHFFFAOYSA-N
XLogP2.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol (CID 166914909) is 2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol is CC(C)(O)C1CN(c2nccc(I)c2Cl)C1.
What is the InChIKey of 2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol?
The InChIKey is VCEJEOICFRWYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O/c1-11(2,16)7-5-15(6-7)10-9(12)8(13)3-4-14-10/h3-4,7,16H,5-6H2,1-2H3.
What are the key properties of 2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol?
2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol has a molecular weight of 352.60 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol is sourced from PubChem (CID 166914909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).