3-(5-amino-6-fluoro-1H-indol-2-yl)phenol

C14H11FN2O — CID 82387044

IUPAC3-(5-amino-6-fluoro-1H-indol-2-yl)phenol
SMILESNc1cc2cc(-c3cccc(O)c3)[nH]c2cc1F
InChIInChI=1S/C14H11FN2O/c15-11-7-14-9(5-12(11)16)6-13(17-14)8-2-1-3-10(18)4-8/h1-7,17-18H,16H2
InChIKeyDQOYRUVYQXUNRT-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.26
Rot. Bonds1

About 3-(5-amino-6-fluoro-1H-indol-2-yl)phenol

3-(5-amino-6-fluoro-1H-indol-2-yl)phenol (PubChem CID 82387044) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-(5-amino-6-fluoro-1H-indol-2-yl)phenol.

Molecular Properties

Compound Name3-(5-amino-6-fluoro-1H-indol-2-yl)phenol
PubChem CID82387044
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name3-(5-amino-6-fluoro-1H-indol-2-yl)phenol
SMILESNc1cc2cc(-c3cccc(O)c3)[nH]c2cc1F
InChIInChI=1S/C14H11FN2O/c15-11-7-14-9(5-12(11)16)6-13(17-14)8-2-1-3-10(18)4-8/h1-7,17-18H,16H2
InChIKeyDQOYRUVYQXUNRT-UHFFFAOYSA-N
XLogP3.26
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-5-methyl-2-phenyl-1H-indole
CID 69096963
3-(2,6-difluorophenyl)phenol
CID 53218544
5-fluoro-2-thiophen-2-yl-1H-indol-6-amine
CID 82390356
3-(5-chloro-1H-indol-2-yl)aniline
CID 39347249
3-(3-amino-1H-pyrazol-5-yl)phenol
CID 55253217
6-(2-amino-1,5-dihydropyrrolo[2,3-f]indol-6-yl)-1,5-dihydropyrrolo[2,3-f]indol-2-amine
CID 163442884
5-methyl-2-(4-methylphenyl)-1H-indol-6-amine
CID 82389166
2-phenyl-1H-indole-6-carboxamide
CID 69443786
3-(2,4-difluorophenyl)phenol
CID 11356203
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
CID 3010563
4-(6-fluoro-1H-indol-2-yl)aniline
CID 71602423

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-fluoro-1H-indol-2-yl)phenol?
The IUPAC name of 3-(5-amino-6-fluoro-1H-indol-2-yl)phenol (CID 82387044) is 3-(5-amino-6-fluoro-1H-indol-2-yl)phenol.
What is the SMILES notation for 3-(5-amino-6-fluoro-1H-indol-2-yl)phenol?
The canonical SMILES for 3-(5-amino-6-fluoro-1H-indol-2-yl)phenol is Nc1cc2cc(-c3cccc(O)c3)[nH]c2cc1F.
What is the InChIKey of 3-(5-amino-6-fluoro-1H-indol-2-yl)phenol?
The InChIKey is DQOYRUVYQXUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-11-7-14-9(5-12(11)16)6-13(17-14)8-2-1-3-10(18)4-8/h1-7,17-18H,16H2.
What are the key properties of 3-(5-amino-6-fluoro-1H-indol-2-yl)phenol?
3-(5-amino-6-fluoro-1H-indol-2-yl)phenol has a molecular weight of 242.25 g/mol, XLogP of 3.26, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-fluoro-1H-indol-2-yl)phenol is sourced from PubChem (CID 82387044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).