6-hydroxy-7-methoxynaphthalene-2-carbonitrile

C12H9NO2 — CID 121009113

IUPAC6-hydroxy-7-methoxynaphthalene-2-carbonitrile
SMILESCOc1cc2cc(C#N)ccc2cc1O
InChIInChI=1S/C12H9NO2/c1-15-12-6-10-4-8(7-13)2-3-9(10)5-11(12)14/h2-6,14H,1H3
InChIKeyREXPWBLGVKMZGQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.43
Rot. Bonds1

About 6-hydroxy-7-methoxynaphthalene-2-carbonitrile

6-hydroxy-7-methoxynaphthalene-2-carbonitrile (PubChem CID 121009113) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-hydroxy-7-methoxynaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-7-methoxynaphthalene-2-carbonitrile
PubChem CID121009113
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name6-hydroxy-7-methoxynaphthalene-2-carbonitrile
SMILESCOc1cc2cc(C#N)ccc2cc1O
InChIInChI=1S/C12H9NO2/c1-15-12-6-10-4-8(7-13)2-3-9(10)5-11(12)14/h2-6,14H,1H3
InChIKeyREXPWBLGVKMZGQ-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

3-hydroxy-4-methoxybenzonitrile;methanol
CID 174363107
sodium 3-hydroxynaphthalene-2,7-dicarbonitrile
CID 23118694
6-hydroxy-5-methoxynaphthalene-2-carbonitrile
CID 121009112
anthracene-2,6-dicarbonitrile
CID 89012264
3-bromo-4-(3-hydroxynaphthalen-2-yl)oxybenzonitrile
CID 82787731
4-fluoro-3-(4-hydroxy-3-methoxyphenyl)benzonitrile
CID 53220839
5-methoxynaphthalene-2-carbonitrile
CID 22243517
4-methoxy(13C)benzonitrile
CID 175991125
3-methoxy-4-sulfanylbenzonitrile
CID 4713200
3-[(Z)-hydroxyiminomethyl]-4-methoxybenzonitrile
CID 87293148
4-[(E)-hydroxyiminomethyl]-3-methoxybenzonitrile
CID 16659220
(4-cyano-2-methoxyphenyl)borinic acid
CID 144769726

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methoxynaphthalene-2-carbonitrile?
The IUPAC name of 6-hydroxy-7-methoxynaphthalene-2-carbonitrile (CID 121009113) is 6-hydroxy-7-methoxynaphthalene-2-carbonitrile.
What is the SMILES notation for 6-hydroxy-7-methoxynaphthalene-2-carbonitrile?
The canonical SMILES for 6-hydroxy-7-methoxynaphthalene-2-carbonitrile is COc1cc2cc(C#N)ccc2cc1O.
What is the InChIKey of 6-hydroxy-7-methoxynaphthalene-2-carbonitrile?
The InChIKey is REXPWBLGVKMZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-15-12-6-10-4-8(7-13)2-3-9(10)5-11(12)14/h2-6,14H,1H3.
What are the key properties of 6-hydroxy-7-methoxynaphthalene-2-carbonitrile?
6-hydroxy-7-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-7-methoxynaphthalene-2-carbonitrile is sourced from PubChem (CID 121009113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).