4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid

C22H15F2N3O4 — CID 22674348

IUPAC4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccncc2)nc1Oc1ccc(F)cc1.Oc1ccc(F)cc1
InChIInChI=1S/C16H10FN3O3.C6H5FO/c17-11-1-3-12(4-2-11)23-15-13(16(21)22)9-19-14(20-15)10-5-7-18-8-6-10;7-5-1-3-6(8)4-2-5/h1-9H,(H,21,22);1-4,8H
InChIKeyUKLISNPOMRIYOU-UHFFFAOYSA-N
MW423.38 g/mol
LogP4.70
Rot. Bonds4

About 4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid

4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 22674348) has the molecular formula C22H15F2N3O4 and a molecular weight of 423.38 g/mol. Its IUPAC name is 4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
PubChem CID22674348
Molecular FormulaC22H15F2N3O4
Molecular Weight423.38 g/mol
Exact Mass423.10
IUPAC Name4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccncc2)nc1Oc1ccc(F)cc1.Oc1ccc(F)cc1
InChIInChI=1S/C16H10FN3O3.C6H5FO/c17-11-1-3-12(4-2-11)23-15-13(16(21)22)9-19-14(20-15)10-5-7-18-8-6-10;7-5-1-3-6(8)4-2-5/h1-9H,(H,21,22);1-4,8H
InChIKeyUKLISNPOMRIYOU-UHFFFAOYSA-N
XLogP4.70
TPSA105.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid (CID 22674348) is 4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccncc2)nc1Oc1ccc(F)cc1.Oc1ccc(F)cc1.
What is the InChIKey of 4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is UKLISNPOMRIYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O3.C6H5FO/c17-11-1-3-12(4-2-11)23-15-13(16(21)22)9-19-14(20-15)10-5-7-18-8-6-10;7-5-1-3-6(8)4-2-5/h1-9H,(H,21,22);1-4,8H.
What are the key properties of 4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid?
4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 423.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorophenol;4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 22674348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).