(2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide

C8H8BrFN2O — CID 163238012

IUPAC(2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide
SMILESC[C@@H](C(N)=O)c1ncc(F)cc1Br
InChIInChI=1S/C8H8BrFN2O/c1-4(8(11)13)7-6(9)2-5(10)3-12-7/h2-4H,1H3,(H2,11,13)/t4-/m1/s1
InChIKeyKRURZPJASRMHKR-SCSAIBSYSA-N
MW247.07 g/mol
LogP1.57
Rot. Bonds2

About (2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide

(2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide (PubChem CID 163238012) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is (2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide
PubChem CID163238012
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name(2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide
SMILESC[C@@H](C(N)=O)c1ncc(F)cc1Br
InChIInChI=1S/C8H8BrFN2O/c1-4(8(11)13)7-6(9)2-5(10)3-12-7/h2-4H,1H3,(H2,11,13)/t4-/m1/s1
InChIKeyKRURZPJASRMHKR-SCSAIBSYSA-N
XLogP1.57
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide?
The IUPAC name of (2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide (CID 163238012) is (2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide is C[C@@H](C(N)=O)c1ncc(F)cc1Br.
What is the InChIKey of (2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide?
The InChIKey is KRURZPJASRMHKR-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c1-4(8(11)13)7-6(9)2-5(10)3-12-7/h2-4H,1H3,(H2,11,13)/t4-/m1/s1.
What are the key properties of (2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide?
(2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide has a molecular weight of 247.07 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 163238012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).