2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid

C12H10FNO2 — CID 170724428

IUPAC2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(F)cc(-c2ccc[nH]2)c1
InChIInChI=1S/C12H10FNO2/c13-10-5-8(6-12(15)16)4-9(7-10)11-2-1-3-14-11/h1-5,7,14H,6H2,(H,15,16)
InChIKeyVTKKCOXIJVUUIP-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.45
Rot. Bonds3

About 2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid

2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid (PubChem CID 170724428) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid
PubChem CID170724428
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(F)cc(-c2ccc[nH]2)c1
InChIInChI=1S/C12H10FNO2/c13-10-5-8(6-12(15)16)4-9(7-10)11-2-1-3-14-11/h1-5,7,14H,6H2,(H,15,16)
InChIKeyVTKKCOXIJVUUIP-UHFFFAOYSA-N
XLogP2.45
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indole-3-Butyric Acid
CID 8617
Indole-3-Acetic Acid
CID 802
1H-Indole-3-propanoic acid
CID 3744
Acetic acid, (p-(1-pyrrolyl)phenyl)-
CID 30923
6-Fluorotryptophan, DL-
CID 94937
5-Fluorotryptophan
CID 688357
5-Fluoroindole-3-acetic acid
CID 96750
3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 2772042
5-Phenylpyrrole-2-propionic acid
CID 96467
Indole-3-butanoate
CID 3702659
Indole-3-pyruvic acid imine
CID 5599
(3S)-3-azaniumyl-4-(1H-indol-3-yl)butanoate
CID 2761550

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid (CID 170724428) is 2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid is O=C(O)Cc1cc(F)cc(-c2ccc[nH]2)c1.
What is the InChIKey of 2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid?
The InChIKey is VTKKCOXIJVUUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-10-5-8(6-12(15)16)4-9(7-10)11-2-1-3-14-11/h1-5,7,14H,6H2,(H,15,16).
What are the key properties of 2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid?
2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid has a molecular weight of 219.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(1H-pyrrol-2-yl)phenyl]acetic acid is sourced from PubChem (CID 170724428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).