(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone

C9H9F2N3O — CID 68771862

IUPAC(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESNc1ccncc1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H9F2N3O/c10-9(11)4-14(5-9)8(15)6-3-13-2-1-7(6)12/h1-3H,4-5H2,(H2,12,13)
InChIKeyWELQRFDBBQWVMW-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.75
Rot. Bonds1

About (4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone

(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 68771862) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID68771862
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESNc1ccncc1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H9F2N3O/c10-9(11)4-14(5-9)8(15)6-3-13-2-1-7(6)12/h1-3H,4-5H2,(H2,12,13)
InChIKeyWELQRFDBBQWVMW-UHFFFAOYSA-N
XLogP0.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81255698
(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 81236152
(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 114196779
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759
(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 81236290
(3-amino-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745609
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-amino-3-pyridinyl)methanone
CID 81256985
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
(4-amino-3-pyridinyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 81241112
(4-amino-3-pyridinyl)-(1-hydroxycyclopentyl)methanone
CID 103447715

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone (CID 68771862) is (4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone is Nc1ccncc1C(=O)N1CC(F)(F)C1.
What is the InChIKey of (4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is WELQRFDBBQWVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c10-9(11)4-14(5-9)8(15)6-3-13-2-1-7(6)12/h1-3H,4-5H2,(H2,12,13).
What are the key properties of (4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone?
(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 213.19 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 68771862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).