1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid

C16H12FNO2 — CID 43316624

IUPAC1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ccn2Cc1ccccc1F
InChIInChI=1S/C16H12FNO2/c17-14-6-2-1-4-11(14)10-18-9-8-12-13(16(19)20)5-3-7-15(12)18/h1-9H,10H2,(H,19,20)
InChIKeyPPGUXNLLGNCAMZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.53
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid

1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid (PubChem CID 43316624) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid
PubChem CID43316624
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ccn2Cc1ccccc1F
InChIInChI=1S/C16H12FNO2/c17-14-6-2-1-4-11(14)10-18-9-8-12-13(16(19)20)5-3-7-15(12)18/h1-9H,10H2,(H,19,20)
InChIKeyPPGUXNLLGNCAMZ-UHFFFAOYSA-N
XLogP3.53
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-fluoroindol-1-yl)methyl]benzoate
CID 82956923
1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 82782618
1-(2,2,3,3,3-pentafluoropropyl)indole-4-carboxylic acid
CID 121494134
1-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]indole-4-carboxylic acid
CID 89444549
1-[(2-bromo-3-fluorophenyl)methyl]indole-4-carbothioamide
CID 107919315
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
CID 4655393
1-[(5-ethylthiophen-2-yl)methyl]indole-4-carboxylic acid
CID 43316617
1-[(E)-but-2-enyl]indole-4-carboxylic acid
CID 43316639
1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid
CID 91690124
1-[[5-chloro-2-[2-(2,4-difluorophenyl)ethoxy]phenyl]methyl]indole-4-carboxylic acid
CID 89444242
1-(1,3-thiazol-5-ylmethyl)indole-4-carboxylic acid
CID 112641074
1-aminoindole-4-carboxylic acid
CID 141215789

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid (CID 43316624) is 1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid is O=C(O)c1cccc2c1ccn2Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid?
The InChIKey is PPGUXNLLGNCAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-14-6-2-1-4-11(14)10-18-9-8-12-13(16(19)20)5-3-7-15(12)18/h1-9H,10H2,(H,19,20).
What are the key properties of 1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid?
1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 3.53, 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]indole-4-carboxylic acid is sourced from PubChem (CID 43316624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).