2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile

C14H10N2O2 — CID 116864630

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(c2)CCO3)ncc1O
InChIInChI=1S/C14H10N2O2/c15-7-11-6-12(16-8-13(11)17)9-1-2-14-10(5-9)3-4-18-14/h1-2,5-6,8,17H,3-4H2
InChIKeyCPOCEIAVDFSCMT-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.26
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile

2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile (PubChem CID 116864630) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile
PubChem CID116864630
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(c2)CCO3)ncc1O
InChIInChI=1S/C14H10N2O2/c15-7-11-6-12(16-8-13(11)17)9-1-2-14-10(5-9)3-4-18-14/h1-2,5-6,8,17H,3-4H2
InChIKeyCPOCEIAVDFSCMT-UHFFFAOYSA-N
XLogP2.26
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865157
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865195
4-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonitrile
CID 116859092
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile
CID 116971877
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
CID 116827285
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886209
2-(1,3-benzodioxol-5-yl)-5-methoxypyridine-4-carbonitrile
CID 116864671
2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
CID 107663413
3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
CID 35847762

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile (CID 116864630) is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile is N#Cc1cc(-c2ccc3c(c2)CCO3)ncc1O.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile?
The InChIKey is CPOCEIAVDFSCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-7-11-6-12(16-8-13(11)17)9-1-2-14-10(5-9)3-4-18-14/h1-2,5-6,8,17H,3-4H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile?
2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile is sourced from PubChem (CID 116864630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).