2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C15H10F4N4O3 — CID 22391945

IUPAC2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1c(N)nc2c(c1N)Cc1cccc(F)c1O2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H9FN4O.C2HF3O2/c14-9-3-1-2-6-4-7-10(16)8(5-15)12(17)18-13(7)19-11(6)9;3-2(4,5)1(6)7/h1-3H,4H2,(H4,16,17,18);(H,6,7)
InChIKeyRFRBWMZZUOEDJI-UHFFFAOYSA-N
MW370.26 g/mol
LogP2.59
Rot. Bonds

About 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 22391945) has the molecular formula C15H10F4N4O3 and a molecular weight of 370.26 g/mol. Its IUPAC name is 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID22391945
Molecular FormulaC15H10F4N4O3
Molecular Weight370.26 g/mol
Exact Mass370.07
IUPAC Name2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1c(N)nc2c(c1N)Cc1cccc(F)c1O2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H9FN4O.C2HF3O2/c14-9-3-1-2-6-4-7-10(16)8(5-15)12(17)18-13(7)19-11(6)9;3-2(4,5)1(6)7/h1-3H,4H2,(H4,16,17,18);(H,6,7)
InChIKeyRFRBWMZZUOEDJI-UHFFFAOYSA-N
XLogP2.59
TPSA135.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 22391945) is 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1c(N)nc2c(c1N)Cc1cccc(F)c1O2.O=C(O)C(F)(F)F.
What is the InChIKey of 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is RFRBWMZZUOEDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O.C2HF3O2/c14-9-3-1-2-6-4-7-10(16)8(5-15)12(17)18-13(7)19-11(6)9;3-2(4,5)1(6)7/h1-3H,4H2,(H4,16,17,18);(H,6,7).
What are the key properties of 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 370.26 g/mol, XLogP of 2.59, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22391945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).