2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid

C11H12BrNO3 — CID 170731225

IUPAC2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid
SMILESCC(Oc1cnc(Br)cc1C(=O)O)C1CC1
InChIInChI=1S/C11H12BrNO3/c1-6(7-2-3-7)16-9-5-13-10(12)4-8(9)11(14)15/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyMHYBCKXYCVNVBY-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.72
Rot. Bonds4

About 2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid

2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid (PubChem CID 170731225) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid
PubChem CID170731225
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid
SMILESCC(Oc1cnc(Br)cc1C(=O)O)C1CC1
InChIInChI=1S/C11H12BrNO3/c1-6(7-2-3-7)16-9-5-13-10(12)4-8(9)11(14)15/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyMHYBCKXYCVNVBY-UHFFFAOYSA-N
XLogP2.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[(2,2-difluorocyclopropyl)methoxy]pyridine-4-carboxylic acid
CID 170730236
5-amino-2-[1-(1-methylpiperidin-4-yl)ethoxy]benzoic acid
CID 117096068
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate
CID 170730393
6-bromo-4-iodopyridine-3-carboxylic acid
CID 58266298
5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid
CID 132588856
2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 155818610
1-(2-bromo-5-fluoro-4-pyridinyl)ethanone
CID 25222946
2-amino-5-cyclobutyloxypyridine-4-carboxylic acid
CID 130479587
5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62000742
2-propan-2-yl-5-propoxypyridine-4-carboxylic acid
CID 132588861
2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 170730871

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid (CID 170731225) is 2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid is CC(Oc1cnc(Br)cc1C(=O)O)C1CC1.
What is the InChIKey of 2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid?
The InChIKey is MHYBCKXYCVNVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-6(7-2-3-7)16-9-5-13-10(12)4-8(9)11(14)15/h4-7H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid?
2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid has a molecular weight of 286.12 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-cyclopropylethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 170731225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).