6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one

C19H12F2N2O2 — CID 25060814

IUPAC6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccncc1)c1ccc(O)cc1
InChIInChI=1S/C19H12F2N2O2/c20-15-6-5-14-17(16(15)21)23-18(25)19(14,12-7-9-22-10-8-12)11-1-3-13(24)4-2-11/h1-10,24H,(H,23,25)
InChIKeyBHGJBKJBUPUXIQ-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.35
Rot. Bonds2

About 6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one

6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one (PubChem CID 25060814) has the molecular formula C19H12F2N2O2 and a molecular weight of 338.31 g/mol. Its IUPAC name is 6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one.

Molecular Properties

Compound Name6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one
PubChem CID25060814
Molecular FormulaC19H12F2N2O2
Molecular Weight338.31 g/mol
Exact Mass338.09
IUPAC Name6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccncc1)c1ccc(O)cc1
InChIInChI=1S/C19H12F2N2O2/c20-15-6-5-14-17(16(15)21)23-18(25)19(14,12-7-9-22-10-8-12)11-1-3-13(24)4-2-11/h1-10,24H,(H,23,25)
InChIKeyBHGJBKJBUPUXIQ-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclo(-D-Trp-Tyr)
CID 7408398
(3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23646835
(3s,6s)-3-(4-Hydroxybenzyl)-6-(1h-Indol-3-Ylmethyl)piperazine-2,5-Dione
CID 7408259
2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide
CID 10667175
4-[3-Hydroxy-5-(pyridin-3-ylamino)phenyl]-1,3-dihydroindol-2-one
CID 15604182
6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one
CID 25061068
4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide
CID 135335735
N-((1r,4r)-4-(4-hydroxyphenyl)cyclohexyl)-3-(pyridin-2-yl)propanamide
CID 44433701
4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide
CID 122186028
N-[2-(4-hydroxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 7097194
3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one
CID 73353998
25Piperazinedione, indole derivative
CID 9863179

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one?
The IUPAC name of 6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one (CID 25060814) is 6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one.
What is the SMILES notation for 6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one?
The canonical SMILES for 6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one is O=C1Nc2c(ccc(F)c2F)C1(c1ccncc1)c1ccc(O)cc1.
What is the InChIKey of 6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one?
The InChIKey is BHGJBKJBUPUXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O2/c20-15-6-5-14-17(16(15)21)23-18(25)19(14,12-7-9-22-10-8-12)11-1-3-13(24)4-2-11/h1-10,24H,(H,23,25).
What are the key properties of 6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one?
6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one has a molecular weight of 338.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one is sourced from PubChem (CID 25060814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).