2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile

C17H16N2O2 — CID 103348696

IUPAC2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESCOc1cccc(C(O)C2(C#N)Cc3ccccc3C2)n1
InChIInChI=1S/C17H16N2O2/c1-21-15-8-4-7-14(19-15)16(20)17(11-18)9-12-5-2-3-6-13(12)10-17/h2-8,16,20H,9-10H2,1H3
InChIKeyWYKLXGIEPVMKFB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.43
Rot. Bonds3

About 2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile

2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile (PubChem CID 103348696) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile
PubChem CID103348696
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESCOc1cccc(C(O)C2(C#N)Cc3ccccc3C2)n1
InChIInChI=1S/C17H16N2O2/c1-21-15-8-4-7-14(19-15)16(20)17(11-18)9-12-5-2-3-6-13(12)10-17/h2-8,16,20H,9-10H2,1H3
InChIKeyWYKLXGIEPVMKFB-UHFFFAOYSA-N
XLogP2.43
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile (CID 103348696) is 2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile is COc1cccc(C(O)C2(C#N)Cc3ccccc3C2)n1.
What is the InChIKey of 2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The InChIKey is WYKLXGIEPVMKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-15-8-4-7-14(19-15)16(20)17(11-18)9-12-5-2-3-6-13(12)10-17/h2-8,16,20H,9-10H2,1H3.
What are the key properties of 2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile?
2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 103348696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).