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

C17H11FN2O3 — CID 11855341

IUPAC4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1F
InChIInChI=1S/C17H11FN2O3/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)
InChIKeyLVAGVIMFCGRRQP-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.77
Rot. Bonds4

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

4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 11855341) has the molecular formula C17H11FN2O3 and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid
PubChem CID11855341
Molecular FormulaC17H11FN2O3
Molecular Weight310.28 g/mol
Exact Mass310.08
IUPAC Name4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1F
InChIInChI=1S/C17H11FN2O3/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)
InChIKeyLVAGVIMFCGRRQP-UHFFFAOYSA-N
XLogP3.77
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-phenoxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate
CID 2745540
4-Phenoxy-2-phenylpyrimidine-5-carboxylic acid
CID 1474633
Ethyl 4-(3,4-dichlorophenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474619
Ethyl 4-phenoxy-2-phenyl-5-pyrimidinecarboxylate
CID 1474625
Ethyl 4-(4-chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474626
2-(3-Cyano-4-phenylmethoxyphenyl)pyrimidine-5-carboxylic acid
CID 168278928
2-[3-Cyano-4-[(4-fluorophenyl)methoxy]phenyl]pyrimidine-5-carboxylic acid
CID 168280230
2-[3-Cyano-4-(cyclohexylmethoxy)phenyl]pyrimidine-5-carboxylic acid
CID 168293752
Ethyl 4-(4-methoxyphenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474631
6-[(2,4-Difluorophenyl)methyl]-2-(3-hydroxyphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 134807175
Ethyl 4-(4-methylphenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474628
Ethyl 4-(3-chlorophenoxy)-2-phenyl-5-pyrimidinecarboxylate
CID 1474632

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid (CID 11855341) is 4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is LVAGVIMFCGRRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O3/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-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid?
4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 310.28 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 11855341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).