2-(hydroxymethyl)quinoline-3-carbonitrile

C11H8N2O — CID 83383623

IUPAC2-(hydroxymethyl)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1CO
InChIInChI=1S/C11H8N2O/c12-6-9-5-8-3-1-2-4-10(8)13-11(9)7-14/h1-5,14H,7H2
InChIKeyRCZXCICQOANCQK-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.60
Rot. Bonds1

About 2-(hydroxymethyl)quinoline-3-carbonitrile

2-(hydroxymethyl)quinoline-3-carbonitrile (PubChem CID 83383623) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)quinoline-3-carbonitrile
PubChem CID83383623
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-(hydroxymethyl)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1CO
InChIInChI=1S/C11H8N2O/c12-6-9-5-8-3-1-2-4-10(8)13-11(9)7-14/h1-5,14H,7H2
InChIKeyRCZXCICQOANCQK-UHFFFAOYSA-N
XLogP1.60
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10263377
CID 10263377
2-(hydroxyamino)quinoline-3-carbonitrile
CID 130500627
[3-(aminomethyl)quinolin-2-yl]methanol
CID 25170623
2-aminooxyquinoline-3-carbonitrile
CID 79428032
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]quinoline-3-carbonitrile
CID 79250182
naphthalene-2,3-dicarbonitrile
CID 601270
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 62090102
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
CID 102862336
2-(3-methylquinolin-2-yl)acetonitrile
CID 55167268
2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile
CID 115681062
2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile
CID 58049919

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)quinoline-3-carbonitrile?
The IUPAC name of 2-(hydroxymethyl)quinoline-3-carbonitrile (CID 83383623) is 2-(hydroxymethyl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(hydroxymethyl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(hydroxymethyl)quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1CO.
What is the InChIKey of 2-(hydroxymethyl)quinoline-3-carbonitrile?
The InChIKey is RCZXCICQOANCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c12-6-9-5-8-3-1-2-4-10(8)13-11(9)7-14/h1-5,14H,7H2.
What are the key properties of 2-(hydroxymethyl)quinoline-3-carbonitrile?
2-(hydroxymethyl)quinoline-3-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)quinoline-3-carbonitrile is sourced from PubChem (CID 83383623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).