N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide

C9H10BrFN2O — CID 68521974

IUPACN-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ncc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O/c1-5(13-6(2)14)9-8(11)3-7(10)4-12-9/h3-5H,1-2H3,(H,13,14)/t5-/m1/s1
InChIKeyPLZOJBXQEOVTFD-RXMQYKEDSA-N
MW261.09 g/mol
LogP2.18
Rot. Bonds2

About N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide

N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide (PubChem CID 68521974) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide
PubChem CID68521974
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC NameN-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ncc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O/c1-5(13-6(2)14)9-8(11)3-7(10)4-12-9/h3-5H,1-2H3,(H,13,14)/t5-/m1/s1
InChIKeyPLZOJBXQEOVTFD-RXMQYKEDSA-N
XLogP2.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide?
The IUPAC name of N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide (CID 68521974) is N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide is CC(=O)N[C@H](C)c1ncc(Br)cc1F.
What is the InChIKey of N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide?
The InChIKey is PLZOJBXQEOVTFD-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-5(13-6(2)14)9-8(11)3-7(10)4-12-9/h3-5H,1-2H3,(H,13,14)/t5-/m1/s1.
What are the key properties of N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide?
N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide has a molecular weight of 261.09 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 68521974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).