4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine

C10H7ClFN3O — CID 75386205

IUPAC4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Oc2ccc(F)nc2)n1
InChIInChI=1S/C10H7ClFN3O/c1-6-14-8(11)4-10(15-6)16-7-2-3-9(12)13-5-7/h2-5H,1H3
InChIKeyVNMKCBIVVBIQLS-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.76
Rot. Bonds2

About 4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine

4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine (PubChem CID 75386205) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine
PubChem CID75386205
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Oc2ccc(F)nc2)n1
InChIInChI=1S/C10H7ClFN3O/c1-6-14-8(11)4-10(15-6)16-7-2-3-9(12)13-5-7/h2-5H,1H3
InChIKeyVNMKCBIVVBIQLS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine (CID 75386205) is 4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine is Cc1nc(Cl)cc(Oc2ccc(F)nc2)n1.
What is the InChIKey of 4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine?
The InChIKey is VNMKCBIVVBIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c1-6-14-8(11)4-10(15-6)16-7-2-3-9(12)13-5-7/h2-5H,1H3.
What are the key properties of 4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine?
4-chloro-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine 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-6-[(6-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine is sourced from PubChem (CID 75386205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).