1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol

C13H10FN3O — CID 19900485

IUPAC1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol
SMILESOc1ccc2c(ccn2Nc2ccncc2F)c1
InChIInChI=1S/C13H10FN3O/c14-11-8-15-5-3-12(11)16-17-6-4-9-7-10(18)1-2-13(9)17/h1-8,18H,(H,15,16)
InChIKeyFDNJSUOFGKBYRX-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.76
Rot. Bonds2

About 1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol

1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol (PubChem CID 19900485) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol.

Molecular Properties

Compound Name1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol
PubChem CID19900485
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol
SMILESOc1ccc2c(ccn2Nc2ccncc2F)c1
InChIInChI=1S/C13H10FN3O/c14-11-8-15-5-3-12(11)16-17-6-4-9-7-10(18)1-2-13(9)17/h1-8,18H,(H,15,16)
InChIKeyFDNJSUOFGKBYRX-UHFFFAOYSA-N
XLogP2.76
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol?
The IUPAC name of 1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol (CID 19900485) is 1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol.
What is the SMILES notation for 1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol?
The canonical SMILES for 1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol is Oc1ccc2c(ccn2Nc2ccncc2F)c1.
What is the InChIKey of 1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol?
The InChIKey is FDNJSUOFGKBYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-11-8-15-5-3-12(11)16-17-6-4-9-7-10(18)1-2-13(9)17/h1-8,18H,(H,15,16).
What are the key properties of 1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol?
1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol has a molecular weight of 243.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-pyridinyl)amino]indol-5-ol is sourced from PubChem (CID 19900485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).