6-hydroxy-5-methoxynaphthalene-2-carbonitrile

C12H9NO2 — CID 121009112

IUPAC6-hydroxy-5-methoxynaphthalene-2-carbonitrile
SMILESCOc1c(O)ccc2cc(C#N)ccc12
InChIInChI=1S/C12H9NO2/c1-15-12-10-4-2-8(7-13)6-9(10)3-5-11(12)14/h2-6,14H,1H3
InChIKeyXCCUKLSRQYWSRH-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.43
Rot. Bonds1

About 6-hydroxy-5-methoxynaphthalene-2-carbonitrile

6-hydroxy-5-methoxynaphthalene-2-carbonitrile (PubChem CID 121009112) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-hydroxy-5-methoxynaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-5-methoxynaphthalene-2-carbonitrile
PubChem CID121009112
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name6-hydroxy-5-methoxynaphthalene-2-carbonitrile
SMILESCOc1c(O)ccc2cc(C#N)ccc12
InChIInChI=1S/C12H9NO2/c1-15-12-10-4-2-8(7-13)6-9(10)3-5-11(12)14/h2-6,14H,1H3
InChIKeyXCCUKLSRQYWSRH-UHFFFAOYSA-N
XLogP2.43
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-7-methoxynaphthalene-2-carbonitrile
CID 121009113
5-methoxynaphthalene-2-carbonitrile
CID 22243517
8-hydroxyphenanthrene-3-carbonitrile
CID 141318774
3-hydroxy-4-methoxybenzonitrile;methanol
CID 174363107
7-bromophenanthrene-2-carbonitrile
CID 129104826
4-hydroxy-6-methylnaphthalene-2-carbonitrile
CID 67309332
anthracene-2,6-dicarbonitrile
CID 89012264
methyl 5-cyano-2-hydroxybenzoate
CID 10583428
(7-cyano-4-hydroxy-2,3-dimethoxynaphthalen-1-yl) acetate
CID 23038504
sodium 3-hydroxynaphthalene-2,7-dicarbonitrile
CID 23118694
4-methoxy(13C)benzonitrile
CID 175991125
CID 89097947
CID 89097947

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methoxynaphthalene-2-carbonitrile?
The IUPAC name of 6-hydroxy-5-methoxynaphthalene-2-carbonitrile (CID 121009112) is 6-hydroxy-5-methoxynaphthalene-2-carbonitrile.
What is the SMILES notation for 6-hydroxy-5-methoxynaphthalene-2-carbonitrile?
The canonical SMILES for 6-hydroxy-5-methoxynaphthalene-2-carbonitrile is COc1c(O)ccc2cc(C#N)ccc12.
What is the InChIKey of 6-hydroxy-5-methoxynaphthalene-2-carbonitrile?
The InChIKey is XCCUKLSRQYWSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-15-12-10-4-2-8(7-13)6-9(10)3-5-11(12)14/h2-6,14H,1H3.
What are the key properties of 6-hydroxy-5-methoxynaphthalene-2-carbonitrile?
6-hydroxy-5-methoxynaphthalene-2-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methoxynaphthalene-2-carbonitrile is sourced from PubChem (CID 121009112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).