4-chloro-6-fluoroquinoline-2-carbonitrile

C10H4ClFN2 — CID 83527195

IUPAC4-chloro-6-fluoroquinoline-2-carbonitrile
SMILESN#Cc1cc(Cl)c2cc(F)ccc2n1
InChIInChI=1S/C10H4ClFN2/c11-9-4-7(5-13)14-10-2-1-6(12)3-8(9)10/h1-4H
InChIKeyLMMUDMCAOORXBY-UHFFFAOYSA-N
MW206.61 g/mol
LogP2.90
Rot. Bonds

About 4-chloro-6-fluoroquinoline-2-carbonitrile

4-chloro-6-fluoroquinoline-2-carbonitrile (PubChem CID 83527195) has the molecular formula C10H4ClFN2 and a molecular weight of 206.61 g/mol. Its IUPAC name is 4-chloro-6-fluoroquinoline-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-fluoroquinoline-2-carbonitrile
PubChem CID83527195
Molecular FormulaC10H4ClFN2
Molecular Weight206.61 g/mol
Exact Mass206.00
IUPAC Name4-chloro-6-fluoroquinoline-2-carbonitrile
SMILESN#Cc1cc(Cl)c2cc(F)ccc2n1
InChIInChI=1S/C10H4ClFN2/c11-9-4-7(5-13)14-10-2-1-6(12)3-8(9)10/h1-4H
InChIKeyLMMUDMCAOORXBY-UHFFFAOYSA-N
XLogP2.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.61
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-7-fluoroisoquinoline-3-carbonitrile
CID 84674705
7-(aminomethyl)-4-chloroquinoline-2-carbonitrile
CID 143730981
4-amino-6-chloroquinoline-2-carbonitrile
CID 84620141
4,7,8-trichloroquinoline-2-carbonitrile
CID 146674031
4-fluoropyridine-2,6-dicarbonitrile
CID 175672759
4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 123135259
2-(2-chloro-6-fluoro-4-oxoquinazolin-3-yl)acetonitrile
CID 131336834
6-fluoro-1-methoxyisoquinoline-3-carbonitrile
CID 84670486
4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline
CID 34176284
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile
CID 152757537
2,4-dichloro-6-fluoro-3-phenylquinoline
CID 2780763

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoroquinoline-2-carbonitrile?
The IUPAC name of 4-chloro-6-fluoroquinoline-2-carbonitrile (CID 83527195) is 4-chloro-6-fluoroquinoline-2-carbonitrile.
What is the SMILES notation for 4-chloro-6-fluoroquinoline-2-carbonitrile?
The canonical SMILES for 4-chloro-6-fluoroquinoline-2-carbonitrile is N#Cc1cc(Cl)c2cc(F)ccc2n1.
What is the InChIKey of 4-chloro-6-fluoroquinoline-2-carbonitrile?
The InChIKey is LMMUDMCAOORXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClFN2/c11-9-4-7(5-13)14-10-2-1-6(12)3-8(9)10/h1-4H.
What are the key properties of 4-chloro-6-fluoroquinoline-2-carbonitrile?
4-chloro-6-fluoroquinoline-2-carbonitrile has a molecular weight of 206.61 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoroquinoline-2-carbonitrile is sourced from PubChem (CID 83527195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).