2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C12H12ClN3O2 — CID 58315427

IUPAC2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2cnc(Cl)nc2n1C1CCCC1
InChIInChI=1S/C12H12ClN3O2/c13-12-14-6-7-5-9(11(17)18)16(10(7)15-12)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,17,18)
InChIKeyLXCZVGKSFJMLRO-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.90
Rot. Bonds2

About 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid

2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 58315427) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID58315427
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2cnc(Cl)nc2n1C1CCCC1
InChIInChI=1S/C12H12ClN3O2/c13-12-14-6-7-5-9(11(17)18)16(10(7)15-12)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,17,18)
InChIKeyLXCZVGKSFJMLRO-UHFFFAOYSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 58315427) is 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc2cnc(Cl)nc2n1C1CCCC1.
What is the InChIKey of 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is LXCZVGKSFJMLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-12-14-6-7-5-9(11(17)18)16(10(7)15-12)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,17,18).
What are the key properties of 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 265.70 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 58315427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).