5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol

C15H11FN4O — CID 170970450

IUPAC5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccnc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C15H11FN4O/c16-11-2-1-3-12(7-11)19-15-18-5-4-14(20-15)10-6-13(21)9-17-8-10/h1-9,21H,(H,18,19,20)
InChIKeyKRGYATLZPHYWAI-UHFFFAOYSA-N
MW282.28 g/mol
LogP3.13
Rot. Bonds3

About 5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol

5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol (PubChem CID 170970450) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol
PubChem CID170970450
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccnc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C15H11FN4O/c16-11-2-1-3-12(7-11)19-15-18-5-4-14(20-15)10-6-13(21)9-17-8-10/h1-9,21H,(H,18,19,20)
InChIKeyKRGYATLZPHYWAI-UHFFFAOYSA-N
XLogP3.13
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol?
The IUPAC name of 5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol (CID 170970450) is 5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol.
What is the SMILES notation for 5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol?
The canonical SMILES for 5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol is Oc1cncc(-c2ccnc(Nc3cccc(F)c3)n2)c1.
What is the InChIKey of 5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol?
The InChIKey is KRGYATLZPHYWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-11-2-1-3-12(7-11)19-15-18-5-4-14(20-15)10-6-13(21)9-17-8-10/h1-9,21H,(H,18,19,20).
What are the key properties of 5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol?
5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol has a molecular weight of 282.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroanilino)pyrimidin-4-yl]pyridin-3-ol is sourced from PubChem (CID 170970450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).