5,7-difluoro-1H-indole-6-carboxylic acid

C9H5F2NO2 — CID 117274550

IUPAC5,7-difluoro-1H-indole-6-carboxylic acid
SMILESO=C(O)c1c(F)cc2cc[nH]c2c1F
InChIInChI=1S/C9H5F2NO2/c10-5-3-4-1-2-12-8(4)7(11)6(5)9(13)14/h1-3,12H,(H,13,14)
InChIKeyKLEDKGAMDAVCDS-UHFFFAOYSA-N
MW197.14 g/mol
LogP2.14
Rot. Bonds1

About 5,7-difluoro-1H-indole-6-carboxylic acid

5,7-difluoro-1H-indole-6-carboxylic acid (PubChem CID 117274550) has the molecular formula C9H5F2NO2 and a molecular weight of 197.14 g/mol. Its IUPAC name is 5,7-difluoro-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name5,7-difluoro-1H-indole-6-carboxylic acid
PubChem CID117274550
Molecular FormulaC9H5F2NO2
Molecular Weight197.14 g/mol
Exact Mass197.03
IUPAC Name5,7-difluoro-1H-indole-6-carboxylic acid
SMILESO=C(O)c1c(F)cc2cc[nH]c2c1F
InChIInChI=1S/C9H5F2NO2/c10-5-3-4-1-2-12-8(4)7(11)6(5)9(13)14/h1-3,12H,(H,13,14)
InChIKeyKLEDKGAMDAVCDS-UHFFFAOYSA-N
XLogP2.14
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-1H-indole-5-carboxylic acid
CID 11564558
2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid
CID 117324730
3-amino-2-(5,7-difluoro-1H-indol-6-yl)propanoic acid
CID 117352563
1-(5,7-difluoro-1H-indol-6-yl)ethanol
CID 117286630
2-amino-2-(5,7-difluoro-1H-indol-6-yl)ethanol
CID 117302615
6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid
CID 117274534
2-fluoro-4H-thieno[3,2-b]pyrrole-3-carboxylic acid
CID 70159593
4-bromo-2,3,6-trifluorobenzoic acid
CID 59889044
1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine
CID 117300028
1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine
CID 117344483
7-methoxy-1H-indole-5-carboxylic acid
CID 15247554
6,7-difluoro-1H-indole-5-carbonitrile
CID 118989891

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1H-indole-6-carboxylic acid?
The IUPAC name of 5,7-difluoro-1H-indole-6-carboxylic acid (CID 117274550) is 5,7-difluoro-1H-indole-6-carboxylic acid.
What is the SMILES notation for 5,7-difluoro-1H-indole-6-carboxylic acid?
The canonical SMILES for 5,7-difluoro-1H-indole-6-carboxylic acid is O=C(O)c1c(F)cc2cc[nH]c2c1F.
What is the InChIKey of 5,7-difluoro-1H-indole-6-carboxylic acid?
The InChIKey is KLEDKGAMDAVCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2/c10-5-3-4-1-2-12-8(4)7(11)6(5)9(13)14/h1-3,12H,(H,13,14).
What are the key properties of 5,7-difluoro-1H-indole-6-carboxylic acid?
5,7-difluoro-1H-indole-6-carboxylic acid has a molecular weight of 197.14 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1H-indole-6-carboxylic acid is sourced from PubChem (CID 117274550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).