6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid

C13H8ClF2NO2 — CID 129247514

IUPAC6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(C3CC3(F)F)c(Cl)cc2c1
InChIInChI=1S/C13H8ClF2NO2/c14-10-2-6-1-7(12(18)19)5-17-11(6)3-8(10)9-4-13(9,15)16/h1-3,5,9H,4H2,(H,18,19)
InChIKeyGGYSULYEXLODNB-UHFFFAOYSA-N
MW283.66 g/mol
LogP3.71
Rot. Bonds2

About 6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid

6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid (PubChem CID 129247514) has the molecular formula C13H8ClF2NO2 and a molecular weight of 283.66 g/mol. Its IUPAC name is 6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid
PubChem CID129247514
Molecular FormulaC13H8ClF2NO2
Molecular Weight283.66 g/mol
Exact Mass283.02
IUPAC Name6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(C3CC3(F)F)c(Cl)cc2c1
InChIInChI=1S/C13H8ClF2NO2/c14-10-2-6-1-7(12(18)19)5-17-11(6)3-8(10)9-4-13(9,15)16/h1-3,5,9H,4H2,(H,18,19)
InChIKeyGGYSULYEXLODNB-UHFFFAOYSA-N
XLogP3.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid (CID 129247514) is 6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid is O=C(O)c1cnc2cc(C3CC3(F)F)c(Cl)cc2c1.
What is the InChIKey of 6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid?
The InChIKey is GGYSULYEXLODNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2/c14-10-2-6-1-7(12(18)19)5-17-11(6)3-8(10)9-4-13(9,15)16/h1-3,5,9H,4H2,(H,18,19).
What are the key properties of 6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid?
6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid has a molecular weight of 283.66 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 129247514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).