3-bromo-5-cyanopyridine-4-carboxylic acid

C7H3BrN2O2 — CID 99983246

IUPAC3-bromo-5-cyanopyridine-4-carboxylic acid
SMILESN#Cc1cncc(Br)c1C(=O)O
InChIInChI=1S/C7H3BrN2O2/c8-5-3-10-2-4(1-9)6(5)7(11)12/h2-3H,(H,11,12)
InChIKeyZLTPRKHZFWOKOU-UHFFFAOYSA-N
MW227.02 g/mol
LogP1.41
Rot. Bonds1

About 3-bromo-5-cyanopyridine-4-carboxylic acid

3-bromo-5-cyanopyridine-4-carboxylic acid (PubChem CID 99983246) has the molecular formula C7H3BrN2O2 and a molecular weight of 227.02 g/mol. Its IUPAC name is 3-bromo-5-cyanopyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-bromo-5-cyanopyridine-4-carboxylic acid
PubChem CID99983246
Molecular FormulaC7H3BrN2O2
Molecular Weight227.02 g/mol
Exact Mass225.94
IUPAC Name3-bromo-5-cyanopyridine-4-carboxylic acid
SMILESN#Cc1cncc(Br)c1C(=O)O
InChIInChI=1S/C7H3BrN2O2/c8-5-3-10-2-4(1-9)6(5)7(11)12/h2-3H,(H,11,12)
InChIKeyZLTPRKHZFWOKOU-UHFFFAOYSA-N
XLogP1.41
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.02
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyanopyridine-4-carboxylic acid?
The IUPAC name of 3-bromo-5-cyanopyridine-4-carboxylic acid (CID 99983246) is 3-bromo-5-cyanopyridine-4-carboxylic acid.
What is the SMILES notation for 3-bromo-5-cyanopyridine-4-carboxylic acid?
The canonical SMILES for 3-bromo-5-cyanopyridine-4-carboxylic acid is N#Cc1cncc(Br)c1C(=O)O.
What is the InChIKey of 3-bromo-5-cyanopyridine-4-carboxylic acid?
The InChIKey is ZLTPRKHZFWOKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN2O2/c8-5-3-10-2-4(1-9)6(5)7(11)12/h2-3H,(H,11,12).
What are the key properties of 3-bromo-5-cyanopyridine-4-carboxylic acid?
3-bromo-5-cyanopyridine-4-carboxylic acid has a molecular weight of 227.02 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyanopyridine-4-carboxylic acid is sourced from PubChem (CID 99983246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).