5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid

C12H10FNO2 — CID 105473568

IUPAC5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
SMILESO=C(O)C1Cc2cc3c(F)cccc3n2C1
InChIInChI=1S/C12H10FNO2/c13-10-2-1-3-11-9(10)5-8-4-7(12(15)16)6-14(8)11/h1-3,5,7H,4,6H2,(H,15,16)
InChIKeyJDPSKFJIYIYFED-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.04
Rot. Bonds1

About 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid

5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid (PubChem CID 105473568) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
PubChem CID105473568
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
SMILESO=C(O)C1Cc2cc3c(F)cccc3n2C1
InChIInChI=1S/C12H10FNO2/c13-10-2-1-3-11-9(10)5-8-4-7(12(15)16)6-14(8)11/h1-3,5,7H,4,6H2,(H,15,16)
InChIKeyJDPSKFJIYIYFED-UHFFFAOYSA-N
XLogP2.04
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-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

(1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105472592
2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indole-7-carboxylic acid
CID 105492336
1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
CID 105456213
1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563709
1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691543
(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 51888649
1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192525
9-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
CID 82395177
5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117326291
1-[2-(aminomethyl)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691423
2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110835783
1-[2-fluoro-6-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691551

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid?
The IUPAC name of 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid (CID 105473568) is 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid?
The canonical SMILES for 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid is O=C(O)C1Cc2cc3c(F)cccc3n2C1.
What is the InChIKey of 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid?
The InChIKey is JDPSKFJIYIYFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-10-2-1-3-11-9(10)5-8-4-7(12(15)16)6-14(8)11/h1-3,5,7H,4,6H2,(H,15,16).
What are the key properties of 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid?
5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid has a molecular weight of 219.22 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid is sourced from PubChem (CID 105473568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).