2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid

C18H19F3N4O5 — CID 161244941

IUPAC2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
SMILESC.N#Cc1c(N)nc2c(c1N)Cc1cccc(OCCO)c1O2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H14N4O3.C2HF3O2.CH4/c16-7-10-12(17)9-6-8-2-1-3-11(21-5-4-20)13(8)22-15(9)19-14(10)18;3-2(4,5)1(6)7;/h1-3,20H,4-6H2,(H4,17,18,19);(H,6,7);1H4
InChIKeyDVONYNPIBSUZFV-UHFFFAOYSA-N
MW428.37 g/mol
LogP2.45
Rot. Bonds3

About 2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid

2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid (PubChem CID 161244941) has the molecular formula C18H19F3N4O5 and a molecular weight of 428.37 g/mol. Its IUPAC name is 2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
PubChem CID161244941
Molecular FormulaC18H19F3N4O5
Molecular Weight428.37 g/mol
Exact Mass428.13
IUPAC Name2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
SMILESC.N#Cc1c(N)nc2c(c1N)Cc1cccc(OCCO)c1O2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H14N4O3.C2HF3O2.CH4/c16-7-10-12(17)9-6-8-2-1-3-11(21-5-4-20)13(8)22-15(9)19-14(10)18;3-2(4,5)1(6)7;/h1-3,20H,4-6H2,(H4,17,18,19);(H,6,7);1H4
InChIKeyDVONYNPIBSUZFV-UHFFFAOYSA-N
XLogP2.45
TPSA164.71 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-diamino-7,8-dihydroxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 9821423
2-(2,4-diamino-3-cyano-7-methoxy-5H-chromeno[2,3-b]pyridin-5-yl)propanedinitrile
CID 2807471
2,4-Diamino-5h-chromeno[2,3-b]pyridine-3-carbonitrile
CID 10243273
2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
CID 10468223
2-amino-4-(3,4-dimethoxyphenyl)-9-fluoro-5H-chromeno[4,3-b]pyridine-3-carbonitrile
CID 11494577
2,4-Diamino-7-(trifluoromethoxy)-5h-chromeno[2,3-b]pyridine-3-carbonitrile
CID 10245548
2,4-diamino-7-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile
CID 10355033
2,4-diamino-9-methoxy-7-nitro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 22391933
2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile
CID 22391934
2,4-diamino-6-bromo-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 22391942
2,4-diamino-9-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 22391944
2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 22391945

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid (CID 161244941) is 2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid is C.N#Cc1c(N)nc2c(c1N)Cc1cccc(OCCO)c1O2.O=C(O)C(F)(F)F.
What is the InChIKey of 2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid?
The InChIKey is DVONYNPIBSUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3.C2HF3O2.CH4/c16-7-10-12(17)9-6-8-2-1-3-11(21-5-4-20)13(8)22-15(9)19-14(10)18;3-2(4,5)1(6)7;/h1-3,20H,4-6H2,(H4,17,18,19);(H,6,7);1H4.
What are the key properties of 2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid?
2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid has a molecular weight of 428.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-9-(2-hydroxyethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161244941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).