2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile

C18H12N3O+ — CID 7047045

IUPAC2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile
SMILESN#Cc1c(N)[nH+]c2c(oc3ccccc32)c1-c1ccccc1
InChIInChI=1S/C18H11N3O/c19-10-13-15(11-6-2-1-3-7-11)17-16(21-18(13)20)12-8-4-5-9-14(12)22-17/h1-9H,(H2,20,21)/p+1
InChIKeyUBWHQFNUKBGOMJ-UHFFFAOYSA-O
MW286.31 g/mol
LogP3.52
Rot. Bonds1

About 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile

2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile (PubChem CID 7047045) has the molecular formula C18H12N3O+ and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile
PubChem CID7047045
Molecular FormulaC18H12N3O+
Molecular Weight286.31 g/mol
Exact Mass286.10
IUPAC Name2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile
SMILESN#Cc1c(N)[nH+]c2c(oc3ccccc32)c1-c1ccccc1
InChIInChI=1S/C18H11N3O/c19-10-13-15(11-6-2-1-3-7-11)17-16(21-18(13)20)12-8-4-5-9-14(12)22-17/h1-9H,(H2,20,21)/p+1
InChIKeyUBWHQFNUKBGOMJ-UHFFFAOYSA-O
XLogP3.52
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-di(dibenzofuran-1-yl)-2-phenylbenzene-1,3-dicarbonitrile
CID 146354460
2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
CID 146353744
2,6-di(carbazol-9-yl)-3,5-bis(4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-4-phenylbenzonitrile
CID 170001407
CID 59413465
CID 59413465
2,3,4-tris(3,6-diphenylcarbazol-9-yl)dibenzofuran-1-carbonitrile
CID 146563392
1,1'-biphenyl;dibenzofuran-4-amine
CID 144554378
2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile
CID 5297673
2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 118920574
2,3,6-tri(carbazol-9-yl)-4-phenyl-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 170670798
2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile
CID 146353866
4-amino-3-phenylchromen-2-one
CID 617040
3,5-bis[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]benzonitrile
CID 70847322

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile (CID 7047045) is 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile is N#Cc1c(N)[nH+]c2c(oc3ccccc32)c1-c1ccccc1.
What is the InChIKey of 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile?
The InChIKey is UBWHQFNUKBGOMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H11N3O/c19-10-13-15(11-6-2-1-3-7-11)17-16(21-18(13)20)12-8-4-5-9-14(12)22-17/h1-9H,(H2,20,21)/p+1.
What are the key properties of 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile?
2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile has a molecular weight of 286.31 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridin-1-ium-3-carbonitrile is sourced from PubChem (CID 7047045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).