6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid

C13H9ClFN3O2 — CID 59432101

IUPAC6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid
SMILESC=Cc1c(N)nc(-c2ccc(Cl)c(F)c2)nc1C(=O)O
InChIInChI=1S/C13H9ClFN3O2/c1-2-7-10(13(19)20)17-12(18-11(7)16)6-3-4-8(14)9(15)5-6/h2-5H,1H2,(H,19,20)(H2,16,17,18)
InChIKeyFWDGSLPRURMUJT-UHFFFAOYSA-N
MW293.69 g/mol
LogP2.86
Rot. Bonds3

About 6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid

6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid (PubChem CID 59432101) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid
PubChem CID59432101
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid
SMILESC=Cc1c(N)nc(-c2ccc(Cl)c(F)c2)nc1C(=O)O
InChIInChI=1S/C13H9ClFN3O2/c1-2-7-10(13(19)20)17-12(18-11(7)16)6-3-4-8(14)9(15)5-6/h2-5H,1H2,(H,19,20)(H2,16,17,18)
InChIKeyFWDGSLPRURMUJT-UHFFFAOYSA-N
XLogP2.86
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid (CID 59432101) is 6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid is C=Cc1c(N)nc(-c2ccc(Cl)c(F)c2)nc1C(=O)O.
What is the InChIKey of 6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid?
The InChIKey is FWDGSLPRURMUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c1-2-7-10(13(19)20)17-12(18-11(7)16)6-3-4-8(14)9(15)5-6/h2-5H,1H2,(H,19,20)(H2,16,17,18).
What are the key properties of 6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid?
6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid has a molecular weight of 293.69 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-chloro-3-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 59432101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).