7-hydroxy-3-methylisoquinoline-1-carbonitrile

C11H8N2O — CID 84659522

IUPAC7-hydroxy-3-methylisoquinoline-1-carbonitrile
SMILESCc1cc2ccc(O)cc2c(C#N)n1
InChIInChI=1S/C11H8N2O/c1-7-4-8-2-3-9(14)5-10(8)11(6-12)13-7/h2-5,14H,1H3
InChIKeyKKURFCTYJDMJJZ-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.12
Rot. Bonds

About 7-hydroxy-3-methylisoquinoline-1-carbonitrile

7-hydroxy-3-methylisoquinoline-1-carbonitrile (PubChem CID 84659522) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 7-hydroxy-3-methylisoquinoline-1-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-3-methylisoquinoline-1-carbonitrile
PubChem CID84659522
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name7-hydroxy-3-methylisoquinoline-1-carbonitrile
SMILESCc1cc2ccc(O)cc2c(C#N)n1
InChIInChI=1S/C11H8N2O/c1-7-4-8-2-3-9(14)5-10(8)11(6-12)13-7/h2-5,14H,1H3
InChIKeyKKURFCTYJDMJJZ-UHFFFAOYSA-N
XLogP2.12
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-6-methylpyridine-2-carbonitrile
CID 45079462
6,19-dihydroxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile
CID 142316288
2-chloro-7-hydroxynaphthalene-1-carbonitrile
CID 150215593
2-methylnaphthalene-1,3,7-triol
CID 159488157
4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 118817088
3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130095837
3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
CID 10171732
3-aminonaphthalene-1,7-diol
CID 105435991
2-methylquinolin-6-ol
CID 594395
6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile
CID 43829356
4-hydroxy-6-methylnaphthalene-2-carbonitrile
CID 67309332
4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
CID 119002592

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methylisoquinoline-1-carbonitrile?
The IUPAC name of 7-hydroxy-3-methylisoquinoline-1-carbonitrile (CID 84659522) is 7-hydroxy-3-methylisoquinoline-1-carbonitrile.
What is the SMILES notation for 7-hydroxy-3-methylisoquinoline-1-carbonitrile?
The canonical SMILES for 7-hydroxy-3-methylisoquinoline-1-carbonitrile is Cc1cc2ccc(O)cc2c(C#N)n1.
What is the InChIKey of 7-hydroxy-3-methylisoquinoline-1-carbonitrile?
The InChIKey is KKURFCTYJDMJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-7-4-8-2-3-9(14)5-10(8)11(6-12)13-7/h2-5,14H,1H3.
What are the key properties of 7-hydroxy-3-methylisoquinoline-1-carbonitrile?
7-hydroxy-3-methylisoquinoline-1-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methylisoquinoline-1-carbonitrile is sourced from PubChem (CID 84659522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).