2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile

C16H14N2O — CID 116864667

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile
SMILESCOc1cnc(-c2ccc3c(c2)CCC3)cc1C#N
InChIInChI=1S/C16H14N2O/c1-19-16-10-18-15(8-14(16)9-17)13-6-5-11-3-2-4-12(11)7-13/h5-8,10H,2-4H2,1H3
InChIKeyPGUYIRVPBJGOAJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.12
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile

2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile (PubChem CID 116864667) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile
PubChem CID116864667
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile
SMILESCOc1cnc(-c2ccc3c(c2)CCC3)cc1C#N
InChIInChI=1S/C16H14N2O/c1-19-16-10-18-15(8-14(16)9-17)13-6-5-11-3-2-4-12(11)7-13/h5-8,10H,2-4H2,1H3
InChIKeyPGUYIRVPBJGOAJ-UHFFFAOYSA-N
XLogP3.12
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile (CID 116864667) is 2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile is COc1cnc(-c2ccc3c(c2)CCC3)cc1C#N.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile?
The InChIKey is PGUYIRVPBJGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-19-16-10-18-15(8-14(16)9-17)13-6-5-11-3-2-4-12(11)7-13/h5-8,10H,2-4H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile?
2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile has a molecular weight of 250.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile is sourced from PubChem (CID 116864667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).