2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide

C11H12BrF2N3O — CID 140574461

IUPAC2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
SMILESNC(=O)C(F)(F)[C@H]1CCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C11H12BrF2N3O/c12-8-1-2-9(16-5-8)17-4-3-7(6-17)11(13,14)10(15)18/h1-2,5,7H,3-4,6H2,(H2,15,18)/t7-/m0/s1
InChIKeyJBUZCCQPOWJWGD-ZETCQYMHSA-N
MW320.14 g/mol
LogP1.79
Rot. Bonds3

About 2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide

2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide (PubChem CID 140574461) has the molecular formula C11H12BrF2N3O and a molecular weight of 320.14 g/mol. Its IUPAC name is 2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
PubChem CID140574461
Molecular FormulaC11H12BrF2N3O
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC Name2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
SMILESNC(=O)C(F)(F)[C@H]1CCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C11H12BrF2N3O/c12-8-1-2-9(16-5-8)17-4-3-7(6-17)11(13,14)10(15)18/h1-2,5,7H,3-4,6H2,(H2,15,18)/t7-/m0/s1
InChIKeyJBUZCCQPOWJWGD-ZETCQYMHSA-N
XLogP1.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
CID 66673305
methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate
CID 133444478
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide
CID 146241785
(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
CID 66674145
6-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine
CID 129320766
N-[1-(5-bromo-2-pyridinyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440255
tert-butyl 4-[2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]-2,2-difluoroethyl]piperazine-1-carboxylate
CID 165371160
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methanone
CID 172880417
3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79098403

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide?
The IUPAC name of 2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide (CID 140574461) is 2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide.
What is the SMILES notation for 2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide?
The canonical SMILES for 2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide is NC(=O)C(F)(F)[C@H]1CCN(c2ccc(Br)cn2)C1.
What is the InChIKey of 2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide?
The InChIKey is JBUZCCQPOWJWGD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12BrF2N3O/c12-8-1-2-9(16-5-8)17-4-3-7(6-17)11(13,14)10(15)18/h1-2,5,7H,3-4,6H2,(H2,15,18)/t7-/m0/s1.
What are the key properties of 2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide?
2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide has a molecular weight of 320.14 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 140574461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).