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

C11H5Cl2FN2O2 — CID 82168774

IUPAC6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H5Cl2FN2O2/c12-5-2-1-3-6(14)9(5)10-15-7(11(17)18)4-8(13)16-10/h1-4H,(H,17,18)
InChIKeyUWSYEXHCMBOJOU-UHFFFAOYSA-N
MW287.08 g/mol
LogP3.29
Rot. Bonds2

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

6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 82168774) has the molecular formula C11H5Cl2FN2O2 and a molecular weight of 287.08 g/mol. Its IUPAC name is 6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID82168774
Molecular FormulaC11H5Cl2FN2O2
Molecular Weight287.08 g/mol
Exact Mass285.97
IUPAC Name6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H5Cl2FN2O2/c12-5-2-1-3-6(14)9(5)10-15-7(11(17)18)4-8(13)16-10/h1-4H,(H,17,18)
InChIKeyUWSYEXHCMBOJOU-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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Related Compounds

6-chloro-2-(2-methylphenyl)pyrimidine-4-carboxylic acid
CID 82168765
1-(2-chloro-6-fluorophenyl)isoquinoline-7-carboxylic acid
CID 67960989
4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
CID 119008734
2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953761
6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid
CID 165445136
ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 118348302
4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
CID 63614541
5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356026
2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid
CID 94946644
1-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]ethanone
CID 14814686
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542794
[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]methyl acetate
CID 142640449

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid (CID 82168774) is 6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(-c2c(F)cccc2Cl)n1.
What is the InChIKey of 6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is UWSYEXHCMBOJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN2O2/c12-5-2-1-3-6(14)9(5)10-15-7(11(17)18)4-8(13)16-10/h1-4H,(H,17,18).
What are the key properties of 6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid?
6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-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-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82168774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).