2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile

C13H10N2O — CID 83129877

IUPAC2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile
SMILESCc1cncc(-c2ccc(O)c(C#N)c2)c1
InChIInChI=1S/C13H10N2O/c1-9-4-12(8-15-7-9)10-2-3-13(16)11(5-10)6-14/h2-5,7-8,16H,1H3
InChIKeySPUQBUWUGVPEAC-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.63
Rot. Bonds1

About 2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile

2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile (PubChem CID 83129877) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile
PubChem CID83129877
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile
SMILESCc1cncc(-c2ccc(O)c(C#N)c2)c1
InChIInChI=1S/C13H10N2O/c1-9-4-12(8-15-7-9)10-2-3-13(16)11(5-10)6-14/h2-5,7-8,16H,1H3
InChIKeySPUQBUWUGVPEAC-UHFFFAOYSA-N
XLogP2.63
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile?
The IUPAC name of 2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile (CID 83129877) is 2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile.
What is the SMILES notation for 2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile?
The canonical SMILES for 2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile is Cc1cncc(-c2ccc(O)c(C#N)c2)c1.
What is the InChIKey of 2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile?
The InChIKey is SPUQBUWUGVPEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-9-4-12(8-15-7-9)10-2-3-13(16)11(5-10)6-14/h2-5,7-8,16H,1H3.
What are the key properties of 2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile?
2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile is sourced from PubChem (CID 83129877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).