2-(6-chloroquinolin-4-yl)acetonitrile

C11H7ClN2 — CID 84777023

IUPAC2-(6-chloroquinolin-4-yl)acetonitrile
SMILESN#CCc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C11H7ClN2/c12-9-1-2-11-10(7-9)8(3-5-13)4-6-14-11/h1-2,4,6-7H,3H2
InChIKeyGRAVDKIUXHRPCM-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.95
Rot. Bonds1

About 2-(6-chloroquinolin-4-yl)acetonitrile

2-(6-chloroquinolin-4-yl)acetonitrile (PubChem CID 84777023) has the molecular formula C11H7ClN2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-(6-chloroquinolin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-chloroquinolin-4-yl)acetonitrile
PubChem CID84777023
Molecular FormulaC11H7ClN2
Molecular Weight202.64 g/mol
Exact Mass202.03
IUPAC Name2-(6-chloroquinolin-4-yl)acetonitrile
SMILESN#CCc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C11H7ClN2/c12-9-1-2-11-10(7-9)8(3-5-13)4-6-14-11/h1-2,4,6-7H,3H2
InChIKeyGRAVDKIUXHRPCM-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

2-(7-chloroquinolin-4-yl)acetonitrile
CID 63203863
2-(5-chloroquinolin-6-yl)acetonitrile
CID 163261913
6-chloro-N-methylquinolin-4-amine
CID 62192062
2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094384
5-chloro-2-(cyanomethyl)benzonitrile
CID 12668062
2-(1,5-naphthyridin-4-yl)acetonitrile
CID 131154765
2-(5-chloro-1-benzothiophen-3-yl)acetonitrile;ethane
CID 143085374
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-[6-(chloromethyl)quinolin-5-yl]acetonitrile
CID 59591142
7-chloro-4-(cyclohexylmethyl)quinoline
CID 122374976
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroquinolin-4-yl)acetonitrile?
The IUPAC name of 2-(6-chloroquinolin-4-yl)acetonitrile (CID 84777023) is 2-(6-chloroquinolin-4-yl)acetonitrile.
What is the SMILES notation for 2-(6-chloroquinolin-4-yl)acetonitrile?
The canonical SMILES for 2-(6-chloroquinolin-4-yl)acetonitrile is N#CCc1ccnc2ccc(Cl)cc12.
What is the InChIKey of 2-(6-chloroquinolin-4-yl)acetonitrile?
The InChIKey is GRAVDKIUXHRPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2/c12-9-1-2-11-10(7-9)8(3-5-13)4-6-14-11/h1-2,4,6-7H,3H2.
What are the key properties of 2-(6-chloroquinolin-4-yl)acetonitrile?
2-(6-chloroquinolin-4-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-(6-chloroquinolin-4-yl)acetonitrile is sourced from PubChem (CID 84777023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).