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

C13H9FN4O — CID 22391934

IUPAC2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)Cc1cccc(F)c1O2
InChIInChI=1S/C13H9FN4O/c14-9-3-1-2-6-4-7-10(16)8(5-15)12(17)18-13(7)19-11(6)9/h1-3H,4H2,(H4,16,17,18)
InChIKeyBHPMLEBHBZHABS-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.95
Rot. Bonds

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

2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 22391934) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID22391934
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)Cc1cccc(F)c1O2
InChIInChI=1S/C13H9FN4O/c14-9-3-1-2-6-4-7-10(16)8(5-15)12(17)18-13(7)19-11(6)9/h1-3H,4H2,(H4,16,17,18)
InChIKeyBHPMLEBHBZHABS-UHFFFAOYSA-N
XLogP1.95
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 22391934) is 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1N)Cc1cccc(F)c1O2.
What is the InChIKey of 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is BHPMLEBHBZHABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-9-3-1-2-6-4-7-10(16)8(5-15)12(17)18-13(7)19-11(6)9/h1-3H,4H2,(H4,16,17,18).
What are the key properties of 2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-9-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 256.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 22391934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).