2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid

C13H11FN2O3 — CID 83181645

IUPAC2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(OCc2ccccc2F)ncc1C(=O)O
InChIInChI=1S/C13H11FN2O3/c1-8-10(12(17)18)6-15-13(16-8)19-7-9-4-2-3-5-11(9)14/h2-6H,7H2,1H3,(H,17,18)
InChIKeyAQTDQFSKBZSNJX-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.20
Rot. Bonds4

About 2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid

2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181645) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181645
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(OCc2ccccc2F)ncc1C(=O)O
InChIInChI=1S/C13H11FN2O3/c1-8-10(12(17)18)6-15-13(16-8)19-7-9-4-2-3-5-11(9)14/h2-6H,7H2,1H3,(H,17,18)
InChIKeyAQTDQFSKBZSNJX-UHFFFAOYSA-N
XLogP2.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid
CID 83181490
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181861
2-[(E)-but-2-enoxy]-4-methylpyrimidine-5-carboxylic acid
CID 83181790
2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid
CID 23020305
6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid
CID 66456909
4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 28932941
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81439627
4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid
CID 83181940
2-(2-acetamidophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83178889

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid (CID 83181645) is 2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(OCc2ccccc2F)ncc1C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is AQTDQFSKBZSNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-10(12(17)18)6-15-13(16-8)19-7-9-4-2-3-5-11(9)14/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid?
2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).