3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid

C9H10BrNO3 — CID 169285876

IUPAC3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid
SMILESCC(C)(O)c1cnc(C(=O)O)c(Br)c1
InChIInChI=1S/C9H10BrNO3/c1-9(2,14)5-3-6(10)7(8(12)13)11-4-5/h3-4,14H,1-2H3,(H,12,13)
InChIKeyNMMDDSVTJFSUKL-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.77
Rot. Bonds2

About 3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid

3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid (PubChem CID 169285876) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid
PubChem CID169285876
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid
SMILESCC(C)(O)c1cnc(C(=O)O)c(Br)c1
InChIInChI=1S/C9H10BrNO3/c1-9(2,14)5-3-6(10)7(8(12)13)11-4-5/h3-4,14H,1-2H3,(H,12,13)
InChIKeyNMMDDSVTJFSUKL-UHFFFAOYSA-N
XLogP1.77
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-tert-butylpyridine-2-carboxylic acid
CID 84729396
methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid
CID 130642185
2-bromo-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 133080839
5-bromopyrimidine-4-carboxylic acid
CID 21329200
5-(1,1-difluoroethyl)-3-ethylsulfonylpyridine-2-carboxylic acid
CID 162442570
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
5-bromo-3-hydroxypyridine-2-carboxylic acid
CID 46315212
4-(2-hydroxypropan-2-yl)-2,6-dimethylbenzoic acid
CID 169285899
3-methylsulfinyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 76963351
3,6-dibromo-1,8-naphthyridine-2-carboxylic acid
CID 127256117

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid (CID 169285876) is 3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid is CC(C)(O)c1cnc(C(=O)O)c(Br)c1.
What is the InChIKey of 3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid?
The InChIKey is NMMDDSVTJFSUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-9(2,14)5-3-6(10)7(8(12)13)11-4-5/h3-4,14H,1-2H3,(H,12,13).
What are the key properties of 3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid?
3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid has a molecular weight of 260.09 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 169285876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).