6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid

C12H9FN2O3 — CID 116820280

IUPAC6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid
SMILESCc1nc(Oc2cccc(F)c2)cc(C(=O)O)n1
InChIInChI=1S/C12H9FN2O3/c1-7-14-10(12(16)17)6-11(15-7)18-9-4-2-3-8(13)5-9/h2-6H,1H3,(H,16,17)
InChIKeyBQLYMTCMHNZSPC-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.41
Rot. Bonds3

About 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid

6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid (PubChem CID 116820280) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid
PubChem CID116820280
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid
SMILESCc1nc(Oc2cccc(F)c2)cc(C(=O)O)n1
InChIInChI=1S/C12H9FN2O3/c1-7-14-10(12(16)17)6-11(15-7)18-9-4-2-3-8(13)5-9/h2-6H,1H3,(H,16,17)
InChIKeyBQLYMTCMHNZSPC-UHFFFAOYSA-N
XLogP2.41
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(3-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80916968
2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53215227
2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid
CID 130631934
2-fluoro-5-(3-fluorophenoxy)benzoic acid
CID 170721916
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
6-(3-fluorophenoxy)pyridine-2-carbothioamide
CID 64593749
(2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473437
[2-(3-fluorophenoxy)phenyl]boronic acid
CID 69091100
(5-methyl-1,2-oxazol-3-yl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332554
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
6-(3-fluorophenoxy)pyridine-2-carbaldehyde
CID 12879152

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid (CID 116820280) is 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid is Cc1nc(Oc2cccc(F)c2)cc(C(=O)O)n1.
What is the InChIKey of 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid?
The InChIKey is BQLYMTCMHNZSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-7-14-10(12(16)17)6-11(15-7)18-9-4-2-3-8(13)5-9/h2-6H,1H3,(H,16,17).
What are the key properties of 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid?
6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)-2-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 116820280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).