[5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone

C10H11F2N3O — CID 156563534

IUPAC[5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone
SMILESNc1cnc(C(=O)N2CCC2)c(C(F)F)c1
InChIInChI=1S/C10H11F2N3O/c11-9(12)7-4-6(13)5-14-8(7)10(16)15-2-1-3-15/h4-5,9H,1-3,13H2
InChIKeyXDOOLAZDUZADCF-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.45
Rot. Bonds2

About [5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone

[5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone (PubChem CID 156563534) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is [5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone
PubChem CID156563534
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name[5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone
SMILESNc1cnc(C(=O)N2CCC2)c(C(F)F)c1
InChIInChI=1S/C10H11F2N3O/c11-9(12)7-4-6(13)5-14-8(7)10(16)15-2-1-3-15/h4-5,9H,1-3,13H2
InChIKeyXDOOLAZDUZADCF-UHFFFAOYSA-N
XLogP1.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone
CID 156563536
5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130094918
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
(3-amino-5-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 130268254
3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130104261
(5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403445
(3R)-N-[6-(azetidine-1-carbonyl)-5-(difluoromethyl)-3-pyridinyl]-3,11-dimethyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156802983
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370
(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone
CID 82571688
(2-amino-5-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 140974061
5-aminopyridine-2,3-dicarboxylic acid
CID 71695342
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone?
The IUPAC name of [5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone (CID 156563534) is [5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone.
What is the SMILES notation for [5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone?
The canonical SMILES for [5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone is Nc1cnc(C(=O)N2CCC2)c(C(F)F)c1.
What is the InChIKey of [5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone?
The InChIKey is XDOOLAZDUZADCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c11-9(12)7-4-6(13)5-14-8(7)10(16)15-2-1-3-15/h4-5,9H,1-3,13H2.
What are the key properties of [5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone?
[5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone has a molecular weight of 227.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone is sourced from PubChem (CID 156563534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).