6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid

C11H5Cl2FN2O2 — CID 58367510

IUPAC6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncnc(-c2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C11H5Cl2FN2O2/c12-6-2-1-5(3-7(6)13)9-8(14)10(11(17)18)16-4-15-9/h1-4H,(H,17,18)
InChIKeyJDAHHGAIIWSSEX-UHFFFAOYSA-N
MW287.08 g/mol
LogP3.29
Rot. Bonds2

About 6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid

6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid (PubChem CID 58367510) has the molecular formula C11H5Cl2FN2O2 and a molecular weight of 287.08 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid
PubChem CID58367510
Molecular FormulaC11H5Cl2FN2O2
Molecular Weight287.08 g/mol
Exact Mass285.97
IUPAC Name6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncnc(-c2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C11H5Cl2FN2O2/c12-6-2-1-5(3-7(6)13)9-8(14)10(11(17)18)16-4-15-9/h1-4H,(H,17,18)
InChIKeyJDAHHGAIIWSSEX-UHFFFAOYSA-N
XLogP3.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid (CID 58367510) is 6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid is O=C(O)c1ncnc(-c2ccc(Cl)c(Cl)c2)c1F.
What is the InChIKey of 6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid?
The InChIKey is JDAHHGAIIWSSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN2O2/c12-6-2-1-5(3-7(6)13)9-8(14)10(11(17)18)16-4-15-9/h1-4H,(H,17,18).
What are the key properties of 6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid?
6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid has a molecular weight of 287.08 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid is sourced from PubChem (CID 58367510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).