4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine

C10H7ClFN3O — CID 71545873

IUPAC4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCc1ncccc1Oc1ncnc(Cl)c1F
InChIInChI=1S/C10H7ClFN3O/c1-6-7(3-2-4-13-6)16-10-8(12)9(11)14-5-15-10/h2-5H,1H3
InChIKeyOHKBGYXYBSZTAV-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.76
Rot. Bonds2

About 4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine

4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine (PubChem CID 71545873) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
PubChem CID71545873
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCc1ncccc1Oc1ncnc(Cl)c1F
InChIInChI=1S/C10H7ClFN3O/c1-6-7(3-2-4-13-6)16-10-8(12)9(11)14-5-15-10/h2-5H,1H3
InChIKeyOHKBGYXYBSZTAV-UHFFFAOYSA-N
XLogP2.76
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine (CID 71545873) is 4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine is Cc1ncccc1Oc1ncnc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine?
The InChIKey is OHKBGYXYBSZTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c1-6-7(3-2-4-13-6)16-10-8(12)9(11)14-5-15-10/h2-5H,1H3.
What are the key properties of 4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine?
4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine has a molecular weight of 239.64 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 71545873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).