4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid

C11H6ClFN2O3 — CID 114213929

IUPAC4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H6ClFN2O3/c12-8-2-1-6(3-9(8)13)18-10-7(11(16)17)4-14-5-15-10/h1-5H,(H,16,17)
InChIKeyUYOCXYYVCNVXPD-UHFFFAOYSA-N
MW268.63 g/mol
LogP2.76
Rot. Bonds3

About 4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid

4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid (PubChem CID 114213929) has the molecular formula C11H6ClFN2O3 and a molecular weight of 268.63 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid
PubChem CID114213929
Molecular FormulaC11H6ClFN2O3
Molecular Weight268.63 g/mol
Exact Mass268.01
IUPAC Name4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H6ClFN2O3/c12-8-2-1-6(3-9(8)13)18-10-7(11(16)17)4-14-5-15-10/h1-5H,(H,16,17)
InChIKeyUYOCXYYVCNVXPD-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

4-(5-chloropyrimidin-4-yl)oxy-2-fluorobenzoic acid
CID 107677397
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
CID 106502849
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367227
2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid
CID 114045793
5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 113469493
2-[(1S)-1-[[5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 141335108
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
5-(4-chloro-3-fluorophenoxy)-2-nitrobenzoic acid
CID 82717911

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid (CID 114213929) is 4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid?
The InChIKey is UYOCXYYVCNVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O3/c12-8-2-1-6(3-9(8)13)18-10-7(11(16)17)4-14-5-15-10/h1-5H,(H,16,17).
What are the key properties of 4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid?
4-(4-chloro-3-fluorophenoxy)pyrimidine-5-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 4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114213929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).