3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide

C10H12BrFN2O — CID 163646130

IUPAC3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ncc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O/c1-3-6(2)14-10(15)9-8(11)4-7(12)5-13-9/h4-6H,3H2,1-2H3,(H,14,15)/t6-/m0/s1
InChIKeyIIJIZATYTAHOIR-LURJTMIESA-N
MW275.12 g/mol
LogP2.51
Rot. Bonds3

About 3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide

3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 163646130) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide
PubChem CID163646130
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ncc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O/c1-3-6(2)14-10(15)9-8(11)4-7(12)5-13-9/h4-6H,3H2,1-2H3,(H,14,15)/t6-/m0/s1
InChIKeyIIJIZATYTAHOIR-LURJTMIESA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide (CID 163646130) is 3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide is CC[C@H](C)NC(=O)c1ncc(F)cc1Br.
What is the InChIKey of 3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide?
The InChIKey is IIJIZATYTAHOIR-LURJTMIESA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-3-6(2)14-10(15)9-8(11)4-7(12)5-13-9/h4-6H,3H2,1-2H3,(H,14,15)/t6-/m0/s1.
What are the key properties of 3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide?
3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 275.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 163646130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).