5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid

C9H10ClN3O2 — CID 2312491

IUPAC5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C9H10ClN3O2/c10-6-5-11-9(12-7(6)8(14)15)13-3-1-2-4-13/h5H,1-4H2,(H,14,15)
InChIKeyQSLMZZIXTMLEFO-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.43
Rot. Bonds2

About 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid

5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid (PubChem CID 2312491) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
PubChem CID2312491
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C9H10ClN3O2/c10-6-5-11-9(12-7(6)8(14)15)13-3-1-2-4-13/h5H,1-4H2,(H,14,15)
InChIKeyQSLMZZIXTMLEFO-UHFFFAOYSA-N
XLogP1.43
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid (CID 2312491) is 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid is O=C(O)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
The InChIKey is QSLMZZIXTMLEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-6-5-11-9(12-7(6)8(14)15)13-3-1-2-4-13/h5H,1-4H2,(H,14,15).
What are the key properties of 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid?
5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 2312491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).