3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide

C11H15BrN2O2 — CID 159611447

IUPAC3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide
SMILESCCC(c1ccnc(Br)c1)C(C)(O)C(N)=O
InChIInChI=1S/C11H15BrN2O2/c1-3-8(11(2,16)10(13)15)7-4-5-14-9(12)6-7/h4-6,8,16H,3H2,1-2H3,(H2,13,15)
InChIKeyMMSXLJWFUVEXFB-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.57
Rot. Bonds4

About 3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide

3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide (PubChem CID 159611447) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide.

Molecular Properties

Compound Name3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide
PubChem CID159611447
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide
SMILESCCC(c1ccnc(Br)c1)C(C)(O)C(N)=O
InChIInChI=1S/C11H15BrN2O2/c1-3-8(11(2,16)10(13)15)7-4-5-14-9(12)6-7/h4-6,8,16H,3H2,1-2H3,(H2,13,15)
InChIKeyMMSXLJWFUVEXFB-UHFFFAOYSA-N
XLogP1.57
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide
CID 71557103
N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide
CID 71557751
3-(3-Bromopyridin-4-yl)-2-hydroxypropanoic acid hydrochloride
CID 137964165
2-Amino-3-(2-bromopyridin-4-yl)propanoic acid
CID 22326272
2-(5-Bromo-3-pyridinyl)-3,3,3-trifluoro-2-hydroxypropanamide
CID 178676202
3-(3-Bromopyridin-4-yl)-2-hydroxypropanoic acid
CID 137964166
3-(2-Bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide
CID 171869593
3-Hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one
CID 20716424
3-(2-Bromo-3-pyridinyl)-1-ethenyl-3-hydroxypyrrolidin-2-one
CID 21963162
2-(6-Bromo-3-pyridinyl)-2-ethylbutanamide
CID 23134442
2-(6-Bromo-3-pyridinyl)-2-methylpropanamide
CID 23134496
(2S)-2-amino-3-(2-bromo-4-pyridinyl)propanoic acid
CID 54571636

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
The IUPAC name of 3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide (CID 159611447) is 3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide.
What is the SMILES notation for 3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
The canonical SMILES for 3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide is CCC(c1ccnc(Br)c1)C(C)(O)C(N)=O.
What is the InChIKey of 3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
The InChIKey is MMSXLJWFUVEXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-8(11(2,16)10(13)15)7-4-5-14-9(12)6-7/h4-6,8,16H,3H2,1-2H3,(H2,13,15).
What are the key properties of 3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide has a molecular weight of 287.16 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide is sourced from PubChem (CID 159611447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).