4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine

C22H15ClFN3O — CID 3741025

IUPAC4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine
SMILESFc1cccc(Cl)c1COc1cccc(-c2ccnc(-c3ccncc3)n2)c1
InChIInChI=1S/C22H15ClFN3O/c23-19-5-2-6-20(24)18(19)14-28-17-4-1-3-16(13-17)21-9-12-26-22(27-21)15-7-10-25-11-8-15/h1-13H,14H2
InChIKeyMYADPNQQRSKXPP-UHFFFAOYSA-N
MW391.83 g/mol
LogP5.58
Rot. Bonds5

About 4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine

4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine (PubChem CID 3741025) has the molecular formula C22H15ClFN3O and a molecular weight of 391.83 g/mol. Its IUPAC name is 4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine
PubChem CID3741025
Molecular FormulaC22H15ClFN3O
Molecular Weight391.83 g/mol
Exact Mass391.09
IUPAC Name4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine
SMILESFc1cccc(Cl)c1COc1cccc(-c2ccnc(-c3ccncc3)n2)c1
InChIInChI=1S/C22H15ClFN3O/c23-19-5-2-6-20(24)18(19)14-28-17-4-1-3-16(13-17)21-9-12-26-22(27-21)15-7-10-25-11-8-15/h1-13H,14H2
InChIKeyMYADPNQQRSKXPP-UHFFFAOYSA-N
XLogP5.58
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.83
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine (CID 3741025) is 4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine is Fc1cccc(Cl)c1COc1cccc(-c2ccnc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine?
The InChIKey is MYADPNQQRSKXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O/c23-19-5-2-6-20(24)18(19)14-28-17-4-1-3-16(13-17)21-9-12-26-22(27-21)15-7-10-25-11-8-15/h1-13H,14H2.
What are the key properties of 4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine?
4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine has a molecular weight of 391.83 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 3741025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).