4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid

C12H8F2N2O3 — CID 175455350

IUPAC4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1-c1ccccc1OC(F)F
InChIInChI=1S/C12H8F2N2O3/c13-12(14)19-9-4-2-1-3-7(9)10-8(11(17)18)5-15-6-16-10/h1-6,12H,(H,17,18)
InChIKeyUMABRXBXLANHSZ-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.44
Rot. Bonds4

About 4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid

4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid (PubChem CID 175455350) has the molecular formula C12H8F2N2O3 and a molecular weight of 266.20 g/mol. Its IUPAC name is 4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid
PubChem CID175455350
Molecular FormulaC12H8F2N2O3
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1-c1ccccc1OC(F)F
InChIInChI=1S/C12H8F2N2O3/c13-12(14)19-9-4-2-1-3-7(9)10-8(11(17)18)5-15-6-16-10/h1-6,12H,(H,17,18)
InChIKeyUMABRXBXLANHSZ-UHFFFAOYSA-N
XLogP2.44
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-4-carboxylic acid
CID 61264924
4-(2,6-dichlorophenyl)pyrimidine-5-carboxylic acid
CID 118852442
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
CID 82484332
2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid
CID 18073533
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
4-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 58828782
1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
CID 62653727
4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid
CID 83697515
4-(difluoromethoxy)-2,3-difluorobenzoic acid
CID 46311566
5-[2-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 175455308
4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid
CID 82488485

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid (CID 175455350) is 4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1-c1ccccc1OC(F)F.
What is the InChIKey of 4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid?
The InChIKey is UMABRXBXLANHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3/c13-12(14)19-9-4-2-1-3-7(9)10-8(11(17)18)5-15-6-16-10/h1-6,12H,(H,17,18).
What are the key properties of 4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid?
4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid has a molecular weight of 266.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 175455350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).