2-bromo-6-propan-2-ylpyridine-3-carboxylic acid

C9H10BrNO2 — CID 84704265

IUPAC2-bromo-6-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1ccc(C(=O)O)c(Br)n1
InChIInChI=1S/C9H10BrNO2/c1-5(2)7-4-3-6(9(12)13)8(10)11-7/h3-5H,1-2H3,(H,12,13)
InChIKeyDYRYWEYXMOMLCI-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.67
Rot. Bonds2

About 2-bromo-6-propan-2-ylpyridine-3-carboxylic acid

2-bromo-6-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 84704265) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-bromo-6-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6-propan-2-ylpyridine-3-carboxylic acid
PubChem CID84704265
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name2-bromo-6-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1ccc(C(=O)O)c(Br)n1
InChIInChI=1S/C9H10BrNO2/c1-5(2)7-4-3-6(9(12)13)8(10)11-7/h3-5H,1-2H3,(H,12,13)
InChIKeyDYRYWEYXMOMLCI-UHFFFAOYSA-N
XLogP2.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-bromo-6-propan-2-ylpyridine-3-carboxylic acid (CID 84704265) is 2-bromo-6-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-6-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-bromo-6-propan-2-ylpyridine-3-carboxylic acid is CC(C)c1ccc(C(=O)O)c(Br)n1.
What is the InChIKey of 2-bromo-6-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is DYRYWEYXMOMLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-5(2)7-4-3-6(9(12)13)8(10)11-7/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-bromo-6-propan-2-ylpyridine-3-carboxylic acid?
2-bromo-6-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 244.09 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 84704265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).