5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid

C11H6Cl2FN3O2 — CID 168887287

IUPAC5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1c(C(=O)O)nc(Cl)nc1-c1ccc(Cl)cc1F
InChIInChI=1S/C11H6Cl2FN3O2/c12-4-1-2-5(6(14)3-4)8-7(15)9(10(18)19)17-11(13)16-8/h1-3H,15H2,(H,18,19)
InChIKeyVVEAQUQLWLRWGR-UHFFFAOYSA-N
MW302.09 g/mol
LogP2.87
Rot. Bonds2

About 5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid

5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 168887287) has the molecular formula C11H6Cl2FN3O2 and a molecular weight of 302.09 g/mol. Its IUPAC name is 5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID168887287
Molecular FormulaC11H6Cl2FN3O2
Molecular Weight302.09 g/mol
Exact Mass300.98
IUPAC Name5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1c(C(=O)O)nc(Cl)nc1-c1ccc(Cl)cc1F
InChIInChI=1S/C11H6Cl2FN3O2/c12-4-1-2-5(6(14)3-4)8-7(15)9(10(18)19)17-11(13)16-8/h1-3H,15H2,(H,18,19)
InChIKeyVVEAQUQLWLRWGR-UHFFFAOYSA-N
XLogP2.87
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid (CID 168887287) is 5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid is Nc1c(C(=O)O)nc(Cl)nc1-c1ccc(Cl)cc1F.
What is the InChIKey of 5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is VVEAQUQLWLRWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN3O2/c12-4-1-2-5(6(14)3-4)8-7(15)9(10(18)19)17-11(13)16-8/h1-3H,15H2,(H,18,19).
What are the key properties of 5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid?
5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 302.09 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-6-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 168887287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).