2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid

C14H9FN2O2 — CID 131988328

IUPAC2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid
SMILESO=C(O)c1ccn2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C14H9FN2O2/c15-10-3-1-9(2-4-10)12-6-8-17-7-5-11(14(18)19)13(17)16-12/h1-8H,(H,18,19)
InChIKeyJMBXRZHJAUAIFM-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.84
Rot. Bonds2

About 2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid

2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid (PubChem CID 131988328) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid
PubChem CID131988328
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid
SMILESO=C(O)c1ccn2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C14H9FN2O2/c15-10-3-1-9(2-4-10)12-6-8-17-7-5-11(14(18)19)13(17)16-12/h1-8H,(H,18,19)
InChIKeyJMBXRZHJAUAIFM-UHFFFAOYSA-N
XLogP2.84
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-Methyl-1h-Pyrrolo[2,3-B]pyridin-3-Yl)amino]pyridine-4-Carboxylic Acid
CID 76283751
Zolpidem carboxylic acid
CID 11966044
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498
2-(5-(3,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205111
2-(5-(4-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205512
7-(4-Chlorophenyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid
CID 1473716
2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylic Acid
CID 3792107

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid (CID 131988328) is 2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid is O=C(O)c1ccn2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid?
The InChIKey is JMBXRZHJAUAIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-10-3-1-9(2-4-10)12-6-8-17-7-5-11(14(18)19)13(17)16-12/h1-8H,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid?
2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid has a molecular weight of 256.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 131988328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).