2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid

C12H8F2N2O3 — CID 83180985

IUPAC2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(Oc2cc(F)cc(F)c2)ncc1C(=O)O
InChIInChI=1S/C12H8F2N2O3/c1-6-10(11(17)18)5-15-12(16-6)19-9-3-7(13)2-8(14)4-9/h2-5H,1H3,(H,17,18)
InChIKeyLOXYFIFNVDHZNP-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.55
Rot. Bonds3

About 2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid

2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83180985) has the molecular formula C12H8F2N2O3 and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid
PubChem CID83180985
Molecular FormulaC12H8F2N2O3
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(Oc2cc(F)cc(F)c2)ncc1C(=O)O
InChIInChI=1S/C12H8F2N2O3/c1-6-10(11(17)18)5-15-12(16-6)19-9-3-7(13)2-8(14)4-9/h2-5H,1H3,(H,17,18)
InChIKeyLOXYFIFNVDHZNP-UHFFFAOYSA-N
XLogP2.55
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid (CID 83180985) is 2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(Oc2cc(F)cc(F)c2)ncc1C(=O)O.
What is the InChIKey of 2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is LOXYFIFNVDHZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3/c1-6-10(11(17)18)5-15-12(16-6)19-9-3-7(13)2-8(14)4-9/h2-5H,1H3,(H,17,18).
What are the key properties of 2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid?
2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 266.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83180985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).