4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine

C17H13F2N3O — CID 127040094

IUPAC4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1cc(COc2cccc(F)c2F)nc(-c2ccccn2)n1
InChIInChI=1S/C17H13F2N3O/c1-11-9-12(10-23-15-7-4-5-13(18)16(15)19)22-17(21-11)14-6-2-3-8-20-14/h2-9H,10H2,1H3
InChIKeyZFBXEZXNMUJCFG-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.70
Rot. Bonds4

About 4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine

4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine (PubChem CID 127040094) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
PubChem CID127040094
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1cc(COc2cccc(F)c2F)nc(-c2ccccn2)n1
InChIInChI=1S/C17H13F2N3O/c1-11-9-12(10-23-15-7-4-5-13(18)16(15)19)22-17(21-11)14-6-2-3-8-20-14/h2-9H,10H2,1H3
InChIKeyZFBXEZXNMUJCFG-UHFFFAOYSA-N
XLogP3.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine (CID 127040094) is 4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine is Cc1cc(COc2cccc(F)c2F)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The InChIKey is ZFBXEZXNMUJCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c1-11-9-12(10-23-15-7-4-5-13(18)16(15)19)22-17(21-11)14-6-2-3-8-20-14/h2-9H,10H2,1H3.
What are the key properties of 4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine has a molecular weight of 313.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 127040094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).