(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone

C9H10ClN3O — CID 130159370

IUPAC(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCC2)cc1Cl
InChIInChI=1S/C9H10ClN3O/c10-7-4-6(5-12-8(7)11)9(14)13-2-1-3-13/h4-5H,1-3H2,(H2,11,12)
InChIKeyUKSREFBLULLHDE-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.16
Rot. Bonds1

About (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone

(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone (PubChem CID 130159370) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
PubChem CID130159370
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCC2)cc1Cl
InChIInChI=1S/C9H10ClN3O/c10-7-4-6(5-12-8(7)11)9(14)13-2-1-3-13/h4-5H,1-3H2,(H2,11,12)
InChIKeyUKSREFBLULLHDE-UHFFFAOYSA-N
XLogP1.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone?
The IUPAC name of (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone (CID 130159370) is (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone.
What is the SMILES notation for (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone?
The canonical SMILES for (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone is Nc1ncc(C(=O)N2CCC2)cc1Cl.
What is the InChIKey of (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone?
The InChIKey is UKSREFBLULLHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-7-4-6(5-12-8(7)11)9(14)13-2-1-3-13/h4-5H,1-3H2,(H2,11,12).
What are the key properties of (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone?
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone has a molecular weight of 211.65 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone is sourced from PubChem (CID 130159370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).