3-(3-fluorophenyl)-1H-indole-2-carboxylic acid

C15H10FNO2 — CID 82120262

IUPAC3-(3-fluorophenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c1-c1cccc(F)c1
InChIInChI=1S/C15H10FNO2/c16-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)17-14(13)15(18)19/h1-8,17H,(H,18,19)
InChIKeyMFNWXPMEAOILRG-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.67
Rot. Bonds2

About 3-(3-fluorophenyl)-1H-indole-2-carboxylic acid

3-(3-fluorophenyl)-1H-indole-2-carboxylic acid (PubChem CID 82120262) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1H-indole-2-carboxylic acid
PubChem CID82120262
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name3-(3-fluorophenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c1-c1cccc(F)c1
InChIInChI=1S/C15H10FNO2/c16-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)17-14(13)15(18)19/h1-8,17H,(H,18,19)
InChIKeyMFNWXPMEAOILRG-UHFFFAOYSA-N
XLogP3.67
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-3-phenyl-1H-indole-2-carboxylic acid
CID 70139049
5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014400
6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid
CID 10469448
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
CID 102497816
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
2-(3-fluorophenyl)-1H-indole-4-carboxamide
CID 22014897
5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid
CID 94830117
3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
CID 58125933
3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole
CID 175349871
3-[3-(dimethylamino)phenyl]-7-methyl-1H-indole-2-carboxylic acid
CID 129187516
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
CID 96619133

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-1H-indole-2-carboxylic acid (CID 82120262) is 3-(3-fluorophenyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2ccccc2c1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1H-indole-2-carboxylic acid?
The InChIKey is MFNWXPMEAOILRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)17-14(13)15(18)19/h1-8,17H,(H,18,19).
What are the key properties of 3-(3-fluorophenyl)-1H-indole-2-carboxylic acid?
3-(3-fluorophenyl)-1H-indole-2-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 82120262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).