2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid

C13H11FN2O3 — CID 82302552

IUPAC2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid
SMILESCOc1ccc(F)cc1Cc1nccc(C(=O)O)n1
InChIInChI=1S/C13H11FN2O3/c1-19-11-3-2-9(14)6-8(11)7-12-15-5-4-10(16-12)13(17)18/h2-6H,7H2,1H3,(H,17,18)
InChIKeyZJSSELWDDHKAAH-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.91
Rot. Bonds4

About 2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid

2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid (PubChem CID 82302552) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid
PubChem CID82302552
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid
SMILESCOc1ccc(F)cc1Cc1nccc(C(=O)O)n1
InChIInChI=1S/C13H11FN2O3/c1-19-11-3-2-9(14)6-8(11)7-12-15-5-4-10(16-12)13(17)18/h2-6H,7H2,1H3,(H,17,18)
InChIKeyZJSSELWDDHKAAH-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]pyrimidine-4-carboxylic acid
CID 63036011
5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole
CID 82126586
2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107555050
2-(hydroxymethyl)pyrimidine-4-carboxylic acid
CID 105430018
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336092
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
3-[(5-fluoro-2-methoxyphenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 95482065
2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylic acid
CID 58541411
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
2-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169905
2-[4-(hydroxymethyl)-2-methoxyphenoxy]pyrimidine-4-carboxylic acid
CID 107744872

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid (CID 82302552) is 2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid is COc1ccc(F)cc1Cc1nccc(C(=O)O)n1.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is ZJSSELWDDHKAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-19-11-3-2-9(14)6-8(11)7-12-15-5-4-10(16-12)13(17)18/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid?
2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82302552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).