6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile

C12H9ClFN3 — CID 175783910

IUPAC6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile
SMILESCN(C)c1nc2c(F)cc(Cl)cc2cc1C#N
InChIInChI=1S/C12H9ClFN3/c1-17(2)12-8(6-15)3-7-4-9(13)5-10(14)11(7)16-12/h3-5H,1-2H3
InChIKeyMHEXSFURFBXTRI-UHFFFAOYSA-N
MW249.68 g/mol
LogP2.96
Rot. Bonds1

About 6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile

6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile (PubChem CID 175783910) has the molecular formula C12H9ClFN3 and a molecular weight of 249.68 g/mol. Its IUPAC name is 6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile
PubChem CID175783910
Molecular FormulaC12H9ClFN3
Molecular Weight249.68 g/mol
Exact Mass249.05
IUPAC Name6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile
SMILESCN(C)c1nc2c(F)cc(Cl)cc2cc1C#N
InChIInChI=1S/C12H9ClFN3/c1-17(2)12-8(6-15)3-7-4-9(13)5-10(14)11(7)16-12/h3-5H,1-2H3
InChIKeyMHEXSFURFBXTRI-UHFFFAOYSA-N
XLogP2.96
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile?
The IUPAC name of 6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile (CID 175783910) is 6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile is CN(C)c1nc2c(F)cc(Cl)cc2cc1C#N.
What is the InChIKey of 6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile?
The InChIKey is MHEXSFURFBXTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3/c1-17(2)12-8(6-15)3-7-4-9(13)5-10(14)11(7)16-12/h3-5H,1-2H3.
What are the key properties of 6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile?
6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile has a molecular weight of 249.68 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile is sourced from PubChem (CID 175783910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).