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

C11H6ClFN2O3 — CID 116820278

IUPAC6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc(F)cc2Cl)ncn1
InChIInChI=1S/C11H6ClFN2O3/c12-7-3-6(13)1-2-9(7)18-10-4-8(11(16)17)14-5-15-10/h1-5H,(H,16,17)
InChIKeyZIBCORSAEHAZLY-UHFFFAOYSA-N
MW268.63 g/mol
LogP2.76
Rot. Bonds3

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

6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid (PubChem CID 116820278) has the molecular formula C11H6ClFN2O3 and a molecular weight of 268.63 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid
PubChem CID116820278
Molecular FormulaC11H6ClFN2O3
Molecular Weight268.63 g/mol
Exact Mass268.01
IUPAC Name6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc(F)cc2Cl)ncn1
InChIInChI=1S/C11H6ClFN2O3/c12-7-3-6(13)1-2-9(7)18-10-4-8(11(16)17)14-5-15-10/h1-5H,(H,16,17)
InChIKeyZIBCORSAEHAZLY-UHFFFAOYSA-N
XLogP2.76
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.63
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate
CID 114059663
3-chloro-1-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 83279849
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434
[(2S)-4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 93297113
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
3-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]prop-2-enoic acid
CID 77000074
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
4-[2-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
CID 83289253
(2R)-1-[(2S)-4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-ethylhexan-1-one
CID 93296768
6-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 55053506
[(2R)-4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-naphthalen-2-ylmethanone
CID 93296770
6-methoxypyrimidine-4-carboxylic acid
CID 3300297

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid (CID 116820278) is 6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid is O=C(O)c1cc(Oc2ccc(F)cc2Cl)ncn1.
What is the InChIKey of 6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid?
The InChIKey is ZIBCORSAEHAZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O3/c12-7-3-6(13)1-2-9(7)18-10-4-8(11(16)17)14-5-15-10/h1-5H,(H,16,17).
What are the key properties of 6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid?
6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid has a molecular weight of 268.63 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 116820278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).