5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one

C14H12FN3O2 — CID 43189889

IUPAC5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
SMILESCOc1ccc(NC2C(=O)Nc3ccc(F)cc32)cn1
InChIInChI=1S/C14H12FN3O2/c1-20-12-5-3-9(7-16-12)17-13-10-6-8(15)2-4-11(10)18-14(13)19/h2-7,13,17H,1H3,(H,18,19)
InChIKeyYRVJMPPZNHGCAY-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.33
Rot. Bonds3

About 5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one

5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one (PubChem CID 43189889) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
PubChem CID43189889
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
SMILESCOc1ccc(NC2C(=O)Nc3ccc(F)cc32)cn1
InChIInChI=1S/C14H12FN3O2/c1-20-12-5-3-9(7-16-12)17-13-10-6-8(15)2-4-11(10)18-14(13)19/h2-7,13,17H,1H3,(H,18,19)
InChIKeyYRVJMPPZNHGCAY-UHFFFAOYSA-N
XLogP2.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one (CID 43189889) is 5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one is COc1ccc(NC2C(=O)Nc3ccc(F)cc32)cn1.
What is the InChIKey of 5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is YRVJMPPZNHGCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-20-12-5-3-9(7-16-12)17-13-10-6-8(15)2-4-11(10)18-14(13)19/h2-7,13,17H,1H3,(H,18,19).
What are the key properties of 5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one?
5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 273.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(6-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43189889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).