1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile

C12H14N2O2 — CID 103348695

IUPAC1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
SMILESCOc1cccc(C(O)C2(C#N)CCC2)n1
InChIInChI=1S/C12H14N2O2/c1-16-10-5-2-4-9(14-10)11(15)12(8-13)6-3-7-12/h2,4-5,11,15H,3,6-7H2,1H3
InChIKeyHNYALSVIRKTTCO-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.82
Rot. Bonds3

About 1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile

1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile (PubChem CID 103348695) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
PubChem CID103348695
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
SMILESCOc1cccc(C(O)C2(C#N)CCC2)n1
InChIInChI=1S/C12H14N2O2/c1-16-10-5-2-4-9(14-10)11(15)12(8-13)6-3-7-12/h2,4-5,11,15H,3,6-7H2,1H3
InChIKeyHNYALSVIRKTTCO-UHFFFAOYSA-N
XLogP1.82
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[hydroxy-(6-methoxy-2-pyridinyl)methyl]oxane-4-carbonitrile
CID 103348706
2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 103348696
1-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
CID 104819037
1-[hydroxy-(2-methylpyrimidin-4-yl)methyl]cycloheptane-1-carbonitrile
CID 115529974
1-[hydroxy-(5-methyl-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
CID 81319128
[1-(aminomethyl)-3-methylcyclohexyl]-(6-methoxy-2-pyridinyl)methanol
CID 103348712
1-[amino-(4-methoxyphenyl)methyl]cyclobutane-1-carbonitrile
CID 116943647
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
3-(6-methoxy-2-pyridinyl)butan-2-ol
CID 63588761
1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
1-(6-methoxy-2-pyridinyl)-2,2-dimethylpropan-1-ol
CID 10679382
3-chloro-2-(6-methoxy-2-pyridinyl)propanenitrile
CID 63588572

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile (CID 103348695) is 1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile is COc1cccc(C(O)C2(C#N)CCC2)n1.
What is the InChIKey of 1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is HNYALSVIRKTTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-10-5-2-4-9(14-10)11(15)12(8-13)6-3-7-12/h2,4-5,11,15H,3,6-7H2,1H3.
What are the key properties of 1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile?
1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(6-methoxy-2-pyridinyl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 103348695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).