4,8-dichloro-5-fluoroquinoline-3-carbonitrile

C10H3Cl2FN2 — CID 107528767

IUPAC4,8-dichloro-5-fluoroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)ccc(F)c2c1Cl
InChIInChI=1S/C10H3Cl2FN2/c11-6-1-2-7(13)8-9(12)5(3-14)4-15-10(6)8/h1-2,4H
InChIKeyYCFVDCHRSOAUPK-UHFFFAOYSA-N
MW241.05 g/mol
LogP3.55
Rot. Bonds

About 4,8-dichloro-5-fluoroquinoline-3-carbonitrile

4,8-dichloro-5-fluoroquinoline-3-carbonitrile (PubChem CID 107528767) has the molecular formula C10H3Cl2FN2 and a molecular weight of 241.05 g/mol. Its IUPAC name is 4,8-dichloro-5-fluoroquinoline-3-carbonitrile.

Molecular Properties

Compound Name4,8-dichloro-5-fluoroquinoline-3-carbonitrile
PubChem CID107528767
Molecular FormulaC10H3Cl2FN2
Molecular Weight241.05 g/mol
Exact Mass239.97
IUPAC Name4,8-dichloro-5-fluoroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)ccc(F)c2c1Cl
InChIInChI=1S/C10H3Cl2FN2/c11-6-1-2-7(13)8-9(12)5(3-14)4-15-10(6)8/h1-2,4H
InChIKeyYCFVDCHRSOAUPK-UHFFFAOYSA-N
XLogP3.55
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-5-fluoroquinoline-3-carbonitrile?
The IUPAC name of 4,8-dichloro-5-fluoroquinoline-3-carbonitrile (CID 107528767) is 4,8-dichloro-5-fluoroquinoline-3-carbonitrile.
What is the SMILES notation for 4,8-dichloro-5-fluoroquinoline-3-carbonitrile?
The canonical SMILES for 4,8-dichloro-5-fluoroquinoline-3-carbonitrile is N#Cc1cnc2c(Cl)ccc(F)c2c1Cl.
What is the InChIKey of 4,8-dichloro-5-fluoroquinoline-3-carbonitrile?
The InChIKey is YCFVDCHRSOAUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl2FN2/c11-6-1-2-7(13)8-9(12)5(3-14)4-15-10(6)8/h1-2,4H.
What are the key properties of 4,8-dichloro-5-fluoroquinoline-3-carbonitrile?
4,8-dichloro-5-fluoroquinoline-3-carbonitrile has a molecular weight of 241.05 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-5-fluoroquinoline-3-carbonitrile is sourced from PubChem (CID 107528767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).