propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate

C9H10BrNO3 — CID 133062597

IUPACpropan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ncc(Br)cc1O
InChIInChI=1S/C9H10BrNO3/c1-5(2)14-9(13)8-7(12)3-6(10)4-11-8/h3-5,12H,1-2H3
InChIKeyRKDSBZYCAFSSJB-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.11
Rot. Bonds2

About propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate

propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate (PubChem CID 133062597) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate
PubChem CID133062597
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Namepropan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ncc(Br)cc1O
InChIInChI=1S/C9H10BrNO3/c1-5(2)14-9(13)8-7(12)3-6(10)4-11-8/h3-5,12H,1-2H3
InChIKeyRKDSBZYCAFSSJB-UHFFFAOYSA-N
XLogP2.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 5-bromopyrimidine-2-carboxylate
CID 133061303
5-bromo-3-hydroxypyridine-2-carboxylic acid
CID 46315212
propan-2-yl 3-bromo-5-chloropyridine-2-carboxylate
CID 133063626
propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate
CID 133054467
5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
CID 133061431
propan-2-yl 3,5-dimethylpyridine-4-carboxylate
CID 177327214
methyl 5-bromo-2-propan-2-ylpyridine-3-carboxylate
CID 131443087
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
propan-2-yl 5-bromo-2-chloropyridine-4-carboxylate
CID 130572345
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 155923574
propan-2-yl 5-hydroxyisoquinoline-1-carboxylate
CID 19897464
propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate
CID 133057466

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate?
The IUPAC name of propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate (CID 133062597) is propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate is CC(C)OC(=O)c1ncc(Br)cc1O.
What is the InChIKey of propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate?
The InChIKey is RKDSBZYCAFSSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-5(2)14-9(13)8-7(12)3-6(10)4-11-8/h3-5,12H,1-2H3.
What are the key properties of propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate?
propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate has a molecular weight of 260.09 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-bromo-3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 133062597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).