3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid

C21H15FN2O2 — CID 71592127

IUPAC3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)c2ccccc2n1Cc1ccncc1
InChIInChI=1S/C21H15FN2O2/c22-17-7-3-1-5-15(17)19-16-6-2-4-8-18(16)24(20(19)21(25)26)13-14-9-11-23-12-10-14/h1-12H,13H2,(H,25,26)
InChIKeyFMZAUVLSIWVYFV-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.59
Rot. Bonds4

About 3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid

3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid (PubChem CID 71592127) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid
PubChem CID71592127
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)c2ccccc2n1Cc1ccncc1
InChIInChI=1S/C21H15FN2O2/c22-17-7-3-1-5-15(17)19-16-6-2-4-8-18(16)24(20(19)21(25)26)13-14-9-11-23-12-10-14/h1-12H,13H2,(H,25,26)
InChIKeyFMZAUVLSIWVYFV-UHFFFAOYSA-N
XLogP4.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid
CID 71592126
1-[(2,6-difluorophenyl)methyl]-3-(2-fluorophenyl)indole-2-carboxylic acid
CID 71592108
3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid
CID 143773976
1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 59490878
3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid
CID 25226741
1-benzyl-3-(4-fluoro-3-methoxyphenyl)indole-2-carboxylic acid
CID 130234249
5-chloro-1-[[3-[9H-fluoren-9-yl(methoxycarbonyl)amino]phenyl]methyl]-3-(2-fluorophenyl)indole-2-carboxylic acid
CID 66673276
1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone
CID 58240973
3-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 83969302
3-[(benzylamino)methyl]-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
CID 53207248
3-(1,3-benzodioxol-5-yl)-1-[[4-(2-carboxyphenyl)phenyl]methyl]indole-2-carboxylic acid
CID 139688814
3-amino-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid
CID 139931360

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid (CID 71592127) is 3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid is O=C(O)c1c(-c2ccccc2F)c2ccccc2n1Cc1ccncc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid?
The InChIKey is FMZAUVLSIWVYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-17-7-3-1-5-15(17)19-16-6-2-4-8-18(16)24(20(19)21(25)26)13-14-9-11-23-12-10-14/h1-12H,13H2,(H,25,26).
What are the key properties of 3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid?
3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid has a molecular weight of 346.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(pyridin-4-ylmethyl)indole-2-carboxylic acid is sourced from PubChem (CID 71592127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).