5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid

C14H14FNO3 — CID 82091128

IUPAC5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)n2CCO)ccc1F
InChIInChI=1S/C14H14FNO3/c1-9-8-10(2-3-11(9)15)12-4-5-13(14(18)19)16(12)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyURZADYSVMWRBQV-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.29
Rot. Bonds4

About 5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid

5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid (PubChem CID 82091128) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
PubChem CID82091128
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)n2CCO)ccc1F
InChIInChI=1S/C14H14FNO3/c1-9-8-10(2-3-11(9)15)12-4-5-13(14(18)19)16(12)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyURZADYSVMWRBQV-UHFFFAOYSA-N
XLogP2.29
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
CID 82089802
1-ethyl-5-(4-fluoro-3-methylphenyl)pyrrole-2-carboxylic acid
CID 62812751
1-(2-hydroxyethyl)-5-phenylpyrrole-2-carboxylic acid
CID 82082001
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82099746
5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid
CID 43671767
1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 43671676
5-(1-benzothiophen-5-yl)-1-propylpyrrole-2-carboxylic acid
CID 65473973
2-[5-(4-fluoro-3-methylphenyl)triazol-1-yl]acetic acid
CID 82222559
5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
CID 82297727
5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
CID 82093290
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092
5-[4-bromo-3-(trifluoromethyl)phenyl]-1-ethylpyrrole-2-carboxylic acid
CID 64855538

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid (CID 82091128) is 5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid is Cc1cc(-c2ccc(C(=O)O)n2CCO)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid?
The InChIKey is URZADYSVMWRBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-9-8-10(2-3-11(9)15)12-4-5-13(14(18)19)16(12)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,18,19).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid?
5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 82091128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).