2-chloro-2-quinolin-8-ylacetonitrile

C11H7ClN2 — CID 63968739

IUPAC2-chloro-2-quinolin-8-ylacetonitrile
SMILESN#CC(Cl)c1cccc2cccnc12
InChIInChI=1S/C11H7ClN2/c12-10(7-13)9-5-1-3-8-4-2-6-14-11(8)9/h1-6,10H
InChIKeyHXZJOARPGGRLTN-UHFFFAOYSA-N
MW202.64 g/mol
LogP3.04
Rot. Bonds1

About 2-chloro-2-quinolin-8-ylacetonitrile

2-chloro-2-quinolin-8-ylacetonitrile (PubChem CID 63968739) has the molecular formula C11H7ClN2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-chloro-2-quinolin-8-ylacetonitrile.

Molecular Properties

Compound Name2-chloro-2-quinolin-8-ylacetonitrile
PubChem CID63968739
Molecular FormulaC11H7ClN2
Molecular Weight202.64 g/mol
Exact Mass202.03
IUPAC Name2-chloro-2-quinolin-8-ylacetonitrile
SMILESN#CC(Cl)c1cccc2cccnc12
InChIInChI=1S/C11H7ClN2/c12-10(7-13)9-5-1-3-8-4-2-6-14-11(8)9/h1-6,10H
InChIKeyHXZJOARPGGRLTN-UHFFFAOYSA-N
XLogP3.04
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

8-(dichloromethyl)quinoline
CID 19989328
2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile
CID 63969362
2-(2-methylpropylamino)-2-quinolin-8-ylacetonitrile
CID 63967901
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
dicalcium;chloroform;tetrakis(erbium(3+));hexadecakis(quinolin-8-olate)
CID 139170865
magnesium;chloroform;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170863
dichlororuthenium;tris(1,10-phenanthroline);hexahydrate
CID 53393580
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
2-quinolin-8-ylsulfanylacetonitrile
CID 2143520
dicopper;pentakis(1,10-phenanthroline);dicyanide;diisothiocyanate;hexahydrate
CID 139055219
2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine
CID 105172449

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-quinolin-8-ylacetonitrile?
The IUPAC name of 2-chloro-2-quinolin-8-ylacetonitrile (CID 63968739) is 2-chloro-2-quinolin-8-ylacetonitrile.
What is the SMILES notation for 2-chloro-2-quinolin-8-ylacetonitrile?
The canonical SMILES for 2-chloro-2-quinolin-8-ylacetonitrile is N#CC(Cl)c1cccc2cccnc12.
What is the InChIKey of 2-chloro-2-quinolin-8-ylacetonitrile?
The InChIKey is HXZJOARPGGRLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2/c12-10(7-13)9-5-1-3-8-4-2-6-14-11(8)9/h1-6,10H.
What are the key properties of 2-chloro-2-quinolin-8-ylacetonitrile?
2-chloro-2-quinolin-8-ylacetonitrile has a molecular weight of 202.64 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-quinolin-8-ylacetonitrile is sourced from PubChem (CID 63968739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).