2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine

C9H4Cl2FN3O — CID 79080965

IUPAC2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine
SMILESC1=C(C=NC=C1Cl)OC2=NC(=NC=C2F)Cl
InChIInChI=1S/C9H4Cl2FN3O/c10-5-1-6(3-13-2-5)16-8-7(12)4-14-9(11)15-8/h1-4H
InChIKeyNGKNLAQTLGLEQI-UHFFFAOYSA-N
MW260.05 g/mol
LogP2.70
Rot. Bonds2

About 2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine

2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine (PubChem CID 79080965) has the molecular formula C9H4Cl2FN3O and a molecular weight of 260.05 g/mol. Its IUPAC name is 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine
PubChem CID79080965
Molecular FormulaC9H4Cl2FN3O
Molecular Weight260.05 g/mol
Exact Mass258.97
IUPAC Name2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine
SMILESC1=C(C=NC=C1Cl)OC2=NC(=NC=C2F)Cl
InChIInChI=1S/C9H4Cl2FN3O/c10-5-1-6(3-13-2-5)16-8-7(12)4-14-9(11)15-8/h1-4H
InChIKeyNGKNLAQTLGLEQI-UHFFFAOYSA-N
XLogP2.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity237

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine?
The IUPAC name of 2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine (CID 79080965) is 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine.
What is the SMILES notation for 2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine?
The canonical SMILES for 2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine is C1=C(C=NC=C1Cl)OC2=NC(=NC=C2F)Cl.
What is the InChIKey of 2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine?
The InChIKey is NGKNLAQTLGLEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FN3O/c10-5-1-6(3-13-2-5)16-8-7(12)4-14-9(11)15-8/h1-4H.
What are the key properties of 2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine?
2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine has a molecular weight of 260.05 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluoropyrimidine is sourced from PubChem (CID 79080965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).