6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid

C9H5ClN2O3 — CID 165445136

IUPAC6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(-c2ccoc2)n1
InChIInChI=1S/C9H5ClN2O3/c10-7-3-6(9(13)14)11-8(12-7)5-1-2-15-4-5/h1-4H,(H,13,14)
InChIKeyATZXOKWZDSPSRA-UHFFFAOYSA-N
MW224.60 g/mol
LogP2.09
Rot. Bonds2

About 6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid

6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid (PubChem CID 165445136) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid
PubChem CID165445136
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(-c2ccoc2)n1
InChIInChI=1S/C9H5ClN2O3/c10-7-3-6(9(13)14)11-8(12-7)5-1-2-15-4-5/h1-4H,(H,13,14)
InChIKeyATZXOKWZDSPSRA-UHFFFAOYSA-N
XLogP2.09
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid (CID 165445136) is 6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(-c2ccoc2)n1.
What is the InChIKey of 6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid?
The InChIKey is ATZXOKWZDSPSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-7-3-6(9(13)14)11-8(12-7)5-1-2-15-4-5/h1-4H,(H,13,14).
What are the key properties of 6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid?
6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid has a molecular weight of 224.60 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 165445136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).