5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid

C10H11BrN2O2 — CID 45480254

IUPAC5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC2)c(Br)c1
InChIInChI=1S/C10H11BrN2O2/c11-8-5-7(10(14)15)6-12-9(8)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15)
InChIKeyYWTAEAKDYAVPLV-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.14
Rot. Bonds2

About 5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid

5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid (PubChem CID 45480254) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
PubChem CID45480254
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC2)c(Br)c1
InChIInChI=1S/C10H11BrN2O2/c11-8-5-7(10(14)15)6-12-9(8)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15)
InChIKeyYWTAEAKDYAVPLV-UHFFFAOYSA-N
XLogP2.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid (CID 45480254) is 5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid is O=C(O)c1cnc(N2CCCC2)c(Br)c1.
What is the InChIKey of 5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is YWTAEAKDYAVPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-5-7(10(14)15)6-12-9(8)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15).
What are the key properties of 5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid?
5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 271.11 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-pyrrolidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 45480254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).