1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol

C9H11ClN2O — CID 79245723

IUPAC1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol
SMILESOC1CN(Cc2cc(Cl)ccn2)C1
InChIInChI=1S/C9H11ClN2O/c10-7-1-2-11-8(3-7)4-12-5-9(13)6-12/h1-3,9,13H,4-6H2
InChIKeyYONMGCMMGXNXSY-UHFFFAOYSA-N
MW198.65 g/mol
LogP0.91
Rot. Bonds2

About 1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol

1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol (PubChem CID 79245723) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol
PubChem CID79245723
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol
SMILESOC1CN(Cc2cc(Cl)ccn2)C1
InChIInChI=1S/C9H11ClN2O/c10-7-1-2-11-8(3-7)4-12-5-9(13)6-12/h1-3,9,13H,4-6H2
InChIKeyYONMGCMMGXNXSY-UHFFFAOYSA-N
XLogP0.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol (CID 79245723) is 1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol is OC1CN(Cc2cc(Cl)ccn2)C1.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol?
The InChIKey is YONMGCMMGXNXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-7-1-2-11-8(3-7)4-12-5-9(13)6-12/h1-3,9,13H,4-6H2.
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol?
1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol has a molecular weight of 198.65 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol is sourced from PubChem (CID 79245723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).