5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid

C11H5ClF2N2O2 — CID 156842759

IUPAC5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C11H5ClF2N2O2/c12-7-4-15-10(11(17)18)16-9(7)6-2-1-5(13)3-8(6)14/h1-4H,(H,17,18)
InChIKeyMTUNKFKIBHUAEA-UHFFFAOYSA-N
MW270.62 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid

5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid (PubChem CID 156842759) has the molecular formula C11H5ClF2N2O2 and a molecular weight of 270.62 g/mol. Its IUPAC name is 5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid
PubChem CID156842759
Molecular FormulaC11H5ClF2N2O2
Molecular Weight270.62 g/mol
Exact Mass270.00
IUPAC Name5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C11H5ClF2N2O2/c12-7-4-15-10(11(17)18)16-9(7)6-2-1-5(13)3-8(6)14/h1-4H,(H,17,18)
InChIKeyMTUNKFKIBHUAEA-UHFFFAOYSA-N
XLogP2.77
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.62
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-4-(2,4-difluorophenyl)pyrimidine
CID 171627408
5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid
CID 156842574
5-chloro-4-phenylpyrimidine-2-carboxylic acid
CID 156842588
5-chloro-4-(2,4-difluorophenyl)-N-(8-fluoro-4-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide
CID 156842624
5-chloro-4-(3-methylphenyl)pyrimidine-2-carboxylic acid
CID 156842703
4-(2,5-difluorophenyl)pyrimidine-2-carboxylic acid
CID 83919048
5-chloro-N-(8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-4-(2,4-difluorophenyl)pyrimidine-2-carboxamide
CID 156843117
4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82297355
4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid
CID 156842765
4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid
CID 156842816
4-(2-fluorophenyl)-5-(trideuteriomethyl)pyrimidine-2-carboxylic acid
CID 156842541
2-chloro-5-(2,4-difluorophenyl)phenol
CID 53221267

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid (CID 156842759) is 5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid is O=C(O)c1ncc(Cl)c(-c2ccc(F)cc2F)n1.
What is the InChIKey of 5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid?
The InChIKey is MTUNKFKIBHUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF2N2O2/c12-7-4-15-10(11(17)18)16-9(7)6-2-1-5(13)3-8(6)14/h1-4H,(H,17,18).
What are the key properties of 5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid?
5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid has a molecular weight of 270.62 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 156842759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).