5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid

C11H7ClN2O3 — CID 115055193

IUPAC5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H7ClN2O3/c12-7-1-3-8(4-2-7)17-9-5-13-10(11(15)16)14-6-9/h1-6H,(H,15,16)
InChIKeyCHYXDOHLNDPURP-UHFFFAOYSA-N
MW250.64 g/mol
LogP2.62
Rot. Bonds3

About 5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid

5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid (PubChem CID 115055193) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid
PubChem CID115055193
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H7ClN2O3/c12-7-1-3-8(4-2-7)17-9-5-13-10(11(15)16)14-6-9/h1-6H,(H,15,16)
InChIKeyCHYXDOHLNDPURP-UHFFFAOYSA-N
XLogP2.62
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
2-bromo-5-(4-chlorophenoxy)pyridine
CID 102468097
4-(2-aminopyrimidin-5-yl)oxybenzoic acid
CID 115038087
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
4-(4-chlorophenoxy)quinoline-3-carboxylic acid
CID 61339884
2-[[5-(4-chlorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134478916
3-[4-(4-chlorophenoxy)phenoxy]-2,2-dimethylpropanoic acid
CID 146594283
6-(4-chlorophenoxy)pyridazine-3-carboxylic acid
CID 60791476
5-(4-chlorophenoxy)pyridine-2-carbonitrile
CID 14823232

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid (CID 115055193) is 5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid is O=C(O)c1ncc(Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid?
The InChIKey is CHYXDOHLNDPURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-7-1-3-8(4-2-7)17-9-5-13-10(11(15)16)14-6-9/h1-6H,(H,15,16).
What are the key properties of 5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid?
5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid has a molecular weight of 250.64 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 115055193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).