1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile

C12H14N2O — CID 81319128

IUPAC1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
SMILESCc1ccc(C(O)C2(C#N)CCC2)nc1
InChIInChI=1S/C12H14N2O/c1-9-3-4-10(14-7-9)11(15)12(8-13)5-2-6-12/h3-4,7,11,15H,2,5-6H2,1H3
InChIKeyGMTSPBZGTDFWAS-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.12
Rot. Bonds2

About 1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile

1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile (PubChem CID 81319128) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
PubChem CID81319128
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
SMILESCc1ccc(C(O)C2(C#N)CCC2)nc1
InChIInChI=1S/C12H14N2O/c1-9-3-4-10(14-7-9)11(15)12(8-13)5-2-6-12/h3-4,7,11,15H,2,5-6H2,1H3
InChIKeyGMTSPBZGTDFWAS-UHFFFAOYSA-N
XLogP2.12
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile (CID 81319128) is 1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile is Cc1ccc(C(O)C2(C#N)CCC2)nc1.
What is the InChIKey of 1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is GMTSPBZGTDFWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-3-4-10(14-7-9)11(15)12(8-13)5-2-6-12/h3-4,7,11,15H,2,5-6H2,1H3.
What are the key properties of 1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile?
1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 81319128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).