2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C15H11F3N4O4 — CID 22391959

IUPAC2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1c(N)nc2c(c1N)Cc1cc(O)ccc1O2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H10N4O2.C2HF3O2/c14-5-9-11(15)8-4-6-3-7(18)1-2-10(6)19-13(8)17-12(9)16;3-2(4,5)1(6)7/h1-3,18H,4H2,(H4,15,16,17);(H,6,7)
InChIKeyKNSVZPYTBARNQW-UHFFFAOYSA-N
MW368.27 g/mol
LogP2.15
Rot. Bonds

About 2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 22391959) has the molecular formula C15H11F3N4O4 and a molecular weight of 368.27 g/mol. Its IUPAC name is 2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID22391959
Molecular FormulaC15H11F3N4O4
Molecular Weight368.27 g/mol
Exact Mass368.07
IUPAC Name2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1c(N)nc2c(c1N)Cc1cc(O)ccc1O2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H10N4O2.C2HF3O2/c14-5-9-11(15)8-4-6-3-7(18)1-2-10(6)19-13(8)17-12(9)16;3-2(4,5)1(6)7/h1-3,18H,4H2,(H4,15,16,17);(H,6,7)
InChIKeyKNSVZPYTBARNQW-UHFFFAOYSA-N
XLogP2.15
TPSA155.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 22391959) is 2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1c(N)nc2c(c1N)Cc1cc(O)ccc1O2.O=C(O)C(F)(F)F.
What is the InChIKey of 2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is KNSVZPYTBARNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2.C2HF3O2/c14-5-9-11(15)8-4-6-3-7(18)1-2-10(6)19-13(8)17-12(9)16;3-2(4,5)1(6)7/h1-3,18H,4H2,(H4,15,16,17);(H,6,7).
What are the key properties of 2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 368.27 g/mol, XLogP of 2.15, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-7-hydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22391959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).