2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C15H11F3N4O5 — CID 22391951

IUPAC2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1c(N)nc2c(c1N)Cc1c(O)cc(O)cc1O2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H10N4O3.C2HF3O2/c14-4-8-11(15)7-3-6-9(19)1-5(18)2-10(6)20-13(7)17-12(8)16;3-2(4,5)1(6)7/h1-2,18-19H,3H2,(H4,15,16,17);(H,6,7)
InChIKeyCRAAQZWJRPZXGS-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.86
Rot. Bonds

About 2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 22391951) has the molecular formula C15H11F3N4O5 and a molecular weight of 384.27 g/mol. Its IUPAC name is 2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID22391951
Molecular FormulaC15H11F3N4O5
Molecular Weight384.27 g/mol
Exact Mass384.07
IUPAC Name2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1c(N)nc2c(c1N)Cc1c(O)cc(O)cc1O2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H10N4O3.C2HF3O2/c14-4-8-11(15)7-3-6-9(19)1-5(18)2-10(6)20-13(7)17-12(8)16;3-2(4,5)1(6)7/h1-2,18-19H,3H2,(H4,15,16,17);(H,6,7)
InChIKeyCRAAQZWJRPZXGS-UHFFFAOYSA-N
XLogP1.86
TPSA175.71 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 22391951) is 2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1c(N)nc2c(c1N)Cc1c(O)cc(O)cc1O2.O=C(O)C(F)(F)F.
What is the InChIKey of 2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is CRAAQZWJRPZXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3.C2HF3O2/c14-4-8-11(15)7-3-6-9(19)1-5(18)2-10(6)20-13(7)17-12(8)16;3-2(4,5)1(6)7/h1-2,18-19H,3H2,(H4,15,16,17);(H,6,7).
What are the key properties of 2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 384.27 g/mol, XLogP of 1.86, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22391951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).