1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid

C12H10FNO2 — CID 3245457

IUPAC1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1Cc1ccccc1F
InChIInChI=1S/C12H10FNO2/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(14)12(15)16/h1-7H,8H2,(H,15,16)
InChIKeyUDNVGFDEHXDBNX-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.37
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid

1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid (PubChem CID 3245457) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid
PubChem CID3245457
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1Cc1ccccc1F
InChIInChI=1S/C12H10FNO2/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(14)12(15)16/h1-7H,8H2,(H,15,16)
InChIKeyUDNVGFDEHXDBNX-UHFFFAOYSA-N
XLogP2.37
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid (CID 3245457) is 1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid?
The InChIKey is UDNVGFDEHXDBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(14)12(15)16/h1-7H,8H2,(H,15,16).
What are the key properties of 1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid?
1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid has a molecular weight of 219.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 3245457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).