2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile

C14H9F3N4O2 — CID 10245548

IUPAC2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)Cc1cc(OC(F)(F)F)ccc1O2
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)23-7-1-2-10-6(3-7)4-8-11(19)9(5-18)12(20)21-13(8)22-10/h1-3H,4H2,(H4,19,20,21)
InChIKeyQKORTZGAUUYABB-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.71
Rot. Bonds1

About 2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile

2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 10245548) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID10245548
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC Name2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)Cc1cc(OC(F)(F)F)ccc1O2
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)23-7-1-2-10-6(3-7)4-8-11(19)9(5-18)12(20)21-13(8)22-10/h1-3H,4H2,(H4,19,20,21)
InChIKeyQKORTZGAUUYABB-UHFFFAOYSA-N
XLogP2.71
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 9821424
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CID 3805201
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CID 9821423
CID 9821423
CID 11638719
CID 11638719
CID 2807471
CID 2807471
CID 45490368
CID 45490368
CID 91973282
CID 91973282
CID 129757509
CID 129757509
CID 10243273
CID 10243273
CID 10314674
CID 10314674
CID 10468223
CID 10468223
CID 7352984
CID 7352984

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 10245548) is 2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1N)Cc1cc(OC(F)(F)F)ccc1O2.
What is the InChIKey of 2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is QKORTZGAUUYABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-14(16,17)23-7-1-2-10-6(3-7)4-8-11(19)9(5-18)12(20)21-13(8)22-10/h1-3H,4H2,(H4,19,20,21).
What are the key properties of 2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 322.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-7-(trifluoromethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 10245548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).