[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid

C8H8BrFN2O2 — CID 68519911

IUPAC[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid
SMILESC[C@@H](NC(=O)O)c1ncc(Br)cc1F
InChIInChI=1S/C8H8BrFN2O2/c1-4(12-8(13)14)7-6(10)2-5(9)3-11-7/h2-4,12H,1H3,(H,13,14)/t4-/m1/s1
InChIKeyCHGSXNJJHHKHLA-SCSAIBSYSA-N
MW263.07 g/mol
LogP2.31
Rot. Bonds2

About [(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid

[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid (PubChem CID 68519911) has the molecular formula C8H8BrFN2O2 and a molecular weight of 263.07 g/mol. Its IUPAC name is [(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid
PubChem CID68519911
Molecular FormulaC8H8BrFN2O2
Molecular Weight263.07 g/mol
Exact Mass261.98
IUPAC Name[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid
SMILESC[C@@H](NC(=O)O)c1ncc(Br)cc1F
InChIInChI=1S/C8H8BrFN2O2/c1-4(12-8(13)14)7-6(10)2-5(9)3-11-7/h2-4,12H,1H3,(H,13,14)/t4-/m1/s1
InChIKeyCHGSXNJJHHKHLA-SCSAIBSYSA-N
XLogP2.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid?
The IUPAC name of [(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid (CID 68519911) is [(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid.
What is the SMILES notation for [(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid?
The canonical SMILES for [(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid is C[C@@H](NC(=O)O)c1ncc(Br)cc1F.
What is the InChIKey of [(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid?
The InChIKey is CHGSXNJJHHKHLA-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H8BrFN2O2/c1-4(12-8(13)14)7-6(10)2-5(9)3-11-7/h2-4,12H,1H3,(H,13,14)/t4-/m1/s1.
What are the key properties of [(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid?
[(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid has a molecular weight of 263.07 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)ethyl]carbamic acid is sourced from PubChem (CID 68519911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).