3-chloroquinoline-4-carbonitrile

C10H5ClN2 — CID 119084140

IUPAC3-chloroquinoline-4-carbonitrile
SMILESN#Cc1c(Cl)cnc2ccccc12
InChIInChI=1S/C10H5ClN2/c11-9-6-13-10-4-2-1-3-7(10)8(9)5-12/h1-4,6H
InChIKeyZYXUBISFMCUTIR-UHFFFAOYSA-N
MW188.62 g/mol
LogP2.76
Rot. Bonds

About 3-chloroquinoline-4-carbonitrile

3-chloroquinoline-4-carbonitrile (PubChem CID 119084140) has the molecular formula C10H5ClN2 and a molecular weight of 188.62 g/mol. Its IUPAC name is 3-chloroquinoline-4-carbonitrile.

Molecular Properties

Compound Name3-chloroquinoline-4-carbonitrile
PubChem CID119084140
Molecular FormulaC10H5ClN2
Molecular Weight188.62 g/mol
Exact Mass188.01
IUPAC Name3-chloroquinoline-4-carbonitrile
SMILESN#Cc1c(Cl)cnc2ccccc12
InChIInChI=1S/C10H5ClN2/c11-9-6-13-10-4-2-1-3-7(10)8(9)5-12/h1-4,6H
InChIKeyZYXUBISFMCUTIR-UHFFFAOYSA-N
XLogP2.76
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloroquinoline-4-carboxylic acid
CID 22158738
4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile
CID 63512577
4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 43668942
3-(4-chlorophenyl)cinnoline-4-carbonitrile
CID 11010899
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
benzonitrile;4-bromo-3-iodoquinoline
CID 175074751
4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669106
3,5-dichloro-2-fluoropyridine-4-carbonitrile
CID 66926931
quinazoline-4-carbonitrile
CID 593211
4-chloro-3-fluoroquinoline
CID 22284824
4-(2-chloro-5-methylanilino)quinoline-3-carbonitrile
CID 107635172
3-phenylcinnoline-4-carbonitrile
CID 10868127

Frequently Asked Questions

What is the IUPAC name of 3-chloroquinoline-4-carbonitrile?
The IUPAC name of 3-chloroquinoline-4-carbonitrile (CID 119084140) is 3-chloroquinoline-4-carbonitrile.
What is the SMILES notation for 3-chloroquinoline-4-carbonitrile?
The canonical SMILES for 3-chloroquinoline-4-carbonitrile is N#Cc1c(Cl)cnc2ccccc12.
What is the InChIKey of 3-chloroquinoline-4-carbonitrile?
The InChIKey is ZYXUBISFMCUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2/c11-9-6-13-10-4-2-1-3-7(10)8(9)5-12/h1-4,6H.
What are the key properties of 3-chloroquinoline-4-carbonitrile?
3-chloroquinoline-4-carbonitrile has a molecular weight of 188.62 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroquinoline-4-carbonitrile is sourced from PubChem (CID 119084140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).