3-bromopyridine-2-carboxylic acid

C6H4BrNO2 — CID 2050129

IUPAC3-bromopyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1Br
InChIInChI=1S/C6H4BrNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)
InChIKeyKBDIRPOTVAODSA-UHFFFAOYSA-N
MW202.01 g/mol
LogP1.54
Rot. Bonds1

About 3-bromopyridine-2-carboxylic acid

3-bromopyridine-2-carboxylic acid (PubChem CID 2050129) has the molecular formula C6H4BrNO2 and a molecular weight of 202.01 g/mol. Its IUPAC name is 3-bromopyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-bromopyridine-2-carboxylic acid
PubChem CID2050129
Molecular FormulaC6H4BrNO2
Molecular Weight202.01 g/mol
Exact Mass200.94
IUPAC Name3-bromopyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1Br
InChIInChI=1S/C6H4BrNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)
InChIKeyKBDIRPOTVAODSA-UHFFFAOYSA-N
XLogP1.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine-2-carboxylic acid?
The IUPAC name of 3-bromopyridine-2-carboxylic acid (CID 2050129) is 3-bromopyridine-2-carboxylic acid.
What is the SMILES notation for 3-bromopyridine-2-carboxylic acid?
The canonical SMILES for 3-bromopyridine-2-carboxylic acid is O=C(O)c1ncccc1Br.
What is the InChIKey of 3-bromopyridine-2-carboxylic acid?
The InChIKey is KBDIRPOTVAODSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10).
What are the key properties of 3-bromopyridine-2-carboxylic acid?
3-bromopyridine-2-carboxylic acid has a molecular weight of 202.01 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine-2-carboxylic acid is sourced from PubChem (CID 2050129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).