4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid

C17H11BrN2O3 — CID 11855343

IUPAC4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1Br
InChIInChI=1S/C17H11BrN2O3/c18-13-8-4-5-9-14(13)23-16-12(17(21)22)10-19-15(20-16)11-6-2-1-3-7-11/h1-10H,(H,21,22)
InChIKeyMGDQSOJZANHDQI-UHFFFAOYSA-N
MW371.19 g/mol
LogP4.40
Rot. Bonds4

About 4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid

4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 11855343) has the molecular formula C17H11BrN2O3 and a molecular weight of 371.19 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid
PubChem CID11855343
Molecular FormulaC17H11BrN2O3
Molecular Weight371.19 g/mol
Exact Mass370.00
IUPAC Name4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1Br
InChIInChI=1S/C17H11BrN2O3/c18-13-8-4-5-9-14(13)23-16-12(17(21)22)10-19-15(20-16)11-6-2-1-3-7-11/h1-10H,(H,21,22)
InChIKeyMGDQSOJZANHDQI-UHFFFAOYSA-N
XLogP4.40
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenoxy-2-phenylpyrimidine-5-carboxylic acid
CID 1474633
Ethyl 4-phenoxy-2-phenyl-5-pyrimidinecarboxylate
CID 1474625
Ethyl 4-(4-chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474626
4-Amino-2-[4-[(4-bromophenyl)methoxy]-3-cyanophenyl]pyrimidine-5-carboxylic acid
CID 155554369
2-[4-[(4-Bromophenyl)methoxy]-3-cyanophenyl]pyrimidine-5-carboxylic acid
CID 168288308
Ethyl 4-(4-methoxyphenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474631
Ethyl 4-(4-methylphenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474628
Ethyl 4-(3-chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474632
4-(4-Methoxyphenoxy)-2-phenyl-5-pyrimidinecarboxylic acid
CID 1489965
4-(4-Chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylic acid
CID 1489967
2-(2-Ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid
CID 12535886
Ethyl 2-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
CID 1474616

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid (CID 11855343) is 4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is MGDQSOJZANHDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O3/c18-13-8-4-5-9-14(13)23-16-12(17(21)22)10-19-15(20-16)11-6-2-1-3-7-11/h1-10H,(H,21,22).
What are the key properties of 4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid?
4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 371.19 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 11855343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).