2-(5-chloroquinolin-6-yl)acetonitrile

C11H7ClN2 — CID 163261913

IUPAC2-(5-chloroquinolin-6-yl)acetonitrile
SMILESN#CCc1ccc2ncccc2c1Cl
InChIInChI=1S/C11H7ClN2/c12-11-8(5-6-13)3-4-10-9(11)2-1-7-14-10/h1-4,7H,5H2
InChIKeyJFZCCLRBUZVANU-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.95
Rot. Bonds1

About 2-(5-chloroquinolin-6-yl)acetonitrile

2-(5-chloroquinolin-6-yl)acetonitrile (PubChem CID 163261913) has the molecular formula C11H7ClN2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-(5-chloroquinolin-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-chloroquinolin-6-yl)acetonitrile
PubChem CID163261913
Molecular FormulaC11H7ClN2
Molecular Weight202.64 g/mol
Exact Mass202.03
IUPAC Name2-(5-chloroquinolin-6-yl)acetonitrile
SMILESN#CCc1ccc2ncccc2c1Cl
InChIInChI=1S/C11H7ClN2/c12-11-8(5-6-13)3-4-10-9(11)2-1-7-14-10/h1-4,7H,5H2
InChIKeyJFZCCLRBUZVANU-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methylquinoline
CID 7059
8-Methylquinoline
CID 11910
4,7-Dichloroquinoline
CID 6866
6-Chloroquinoline
CID 69163
8-Chloroquinoline
CID 69139
4-Amino-7-chloroquinoline
CID 94711
6-Isopropylquinoline
CID 67285
7-Chloro-4-(1-pyrrolidinyl)quinoline
CID 962627
3-Quinolinecarbonitrile
CID 93177
6-(sec-Butyl)quinoline
CID 103401
4-Chloroquinoline
CID 69140
5-Chloroquinoline
CID 69458

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-6-yl)acetonitrile?
The IUPAC name of 2-(5-chloroquinolin-6-yl)acetonitrile (CID 163261913) is 2-(5-chloroquinolin-6-yl)acetonitrile.
What is the SMILES notation for 2-(5-chloroquinolin-6-yl)acetonitrile?
The canonical SMILES for 2-(5-chloroquinolin-6-yl)acetonitrile is N#CCc1ccc2ncccc2c1Cl.
What is the InChIKey of 2-(5-chloroquinolin-6-yl)acetonitrile?
The InChIKey is JFZCCLRBUZVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2/c12-11-8(5-6-13)3-4-10-9(11)2-1-7-14-10/h1-4,7H,5H2.
What are the key properties of 2-(5-chloroquinolin-6-yl)acetonitrile?
2-(5-chloroquinolin-6-yl)acetonitrile has a molecular weight of 202.64 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-6-yl)acetonitrile is sourced from PubChem (CID 163261913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).