(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone

C10H11F2N3O — CID 138985813

IUPAC(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(F)(F)C2)nc1
InChIInChI=1S/C10H11F2N3O/c11-10(12)3-4-15(6-10)9(16)8-2-1-7(13)5-14-8/h1-2,5H,3-4,6,13H2
InChIKeyNWHVQGJNOPALLP-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.14
Rot. Bonds1

About (5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone

(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 138985813) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID138985813
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(F)(F)C2)nc1
InChIInChI=1S/C10H11F2N3O/c11-10(12)3-4-15(6-10)9(16)8-2-1-7(13)5-14-8/h1-2,5H,3-4,6,13H2
InChIKeyNWHVQGJNOPALLP-UHFFFAOYSA-N
XLogP1.14
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155490138
(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211702
(5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone
CID 149181615
N-[1-(5-aminopyridine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 81310797
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 81310359
3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107322971
2-[4-(5-aminopyridine-2-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 81311913
3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258190
(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727006
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395
(4,4-difluoropiperidin-1-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone
CID 70789102

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone (CID 138985813) is (5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone is Nc1ccc(C(=O)N2CCC(F)(F)C2)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is NWHVQGJNOPALLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c11-10(12)3-4-15(6-10)9(16)8-2-1-7(13)5-14-8/h1-2,5H,3-4,6,13H2.
What are the key properties of (5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 227.21 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 138985813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).