3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide

C9H11BrN2O2 — CID 107519692

IUPAC3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](CO)NC(=O)c1ncccc1Br
InChIInChI=1S/C9H11BrN2O2/c1-6(5-13)12-9(14)8-7(10)3-2-4-11-8/h2-4,6,13H,5H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyRMSLDZVOKMLIRE-LURJTMIESA-N
MW259.10 g/mol
LogP0.95
Rot. Bonds3

About 3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide

3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide (PubChem CID 107519692) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
PubChem CID107519692
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](CO)NC(=O)c1ncccc1Br
InChIInChI=1S/C9H11BrN2O2/c1-6(5-13)12-9(14)8-7(10)3-2-4-11-8/h2-4,6,13H,5H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyRMSLDZVOKMLIRE-LURJTMIESA-N
XLogP0.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
3-bromo-N-(5-bromopentan-2-yl)pyridine-2-carboxamide
CID 107526265
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
(2S)-2-[(3-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107517042
3-bromo-N-(1-bromo-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526264
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526234
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 107518195
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107519383

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide (CID 107519692) is 3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide is C[C@@H](CO)NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide?
The InChIKey is RMSLDZVOKMLIRE-LURJTMIESA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6(5-13)12-9(14)8-7(10)3-2-4-11-8/h2-4,6,13H,5H2,1H3,(H,12,14)/t6-/m0/s1.
What are the key properties of 3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide?
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide has a molecular weight of 259.10 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 107519692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).