3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile

C14H10N2O — CID 11528667

IUPAC3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile
SMILESN#Cc1cccc(C2OCc3cnccc32)c1
InChIInChI=1S/C14H10N2O/c15-7-10-2-1-3-11(6-10)14-13-4-5-16-8-12(13)9-17-14/h1-6,8,14H,9H2
InChIKeyMKLXABVPOBJGJX-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.57
Rot. Bonds1

About 3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile

3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile (PubChem CID 11528667) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile.

Molecular Properties

Compound Name3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile
PubChem CID11528667
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile
SMILESN#Cc1cccc(C2OCc3cnccc32)c1
InChIInChI=1S/C14H10N2O/c15-7-10-2-1-3-11(6-10)14-13-4-5-16-8-12(13)9-17-14/h1-6,8,14H,9H2
InChIKeyMKLXABVPOBJGJX-UHFFFAOYSA-N
XLogP2.57
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 40823010
3-[(2S)-oxiran-2-yl]benzonitrile
CID 53471231
1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 154531997
3-[(1R,2R)-2-(aminomethyl)cyclopropyl]benzonitrile
CID 94556811
N,N-dimethylpropan-1-amine;(1S)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 143095230
3-(4-amino-3-pyridinyl)benzonitrile
CID 79004011
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
(2S,3R)-N-[(3-cyanophenyl)methyl]-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 157012798
3-[(3-trimethylsilyl-4-pyridinyl)methyl]benzonitrile
CID 122208069
3-(4-ethyl-1,3-thiazolidin-2-yl)benzonitrile
CID 66228886
3-[(1R,2R)-2-aminocyclopentyl]benzonitrile
CID 130943914
3-[[(3-chloro-4-pyridinyl)amino]methyl]benzonitrile
CID 79840330

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile?
The IUPAC name of 3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile (CID 11528667) is 3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile.
What is the SMILES notation for 3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile?
The canonical SMILES for 3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile is N#Cc1cccc(C2OCc3cnccc32)c1.
What is the InChIKey of 3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile?
The InChIKey is MKLXABVPOBJGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c15-7-10-2-1-3-11(6-10)14-13-4-5-16-8-12(13)9-17-14/h1-6,8,14H,9H2.
What are the key properties of 3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile?
3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydrofuro[3,4-c]pyridin-1-yl)benzonitrile is sourced from PubChem (CID 11528667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).