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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Related Compounds

4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile
CID 107531231
methyl 4,8-dichloro-5-fluoroquinoline-3-carboxylate
CID 107528768
6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile
CID 24689998
5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile
CID 55045002
7-chloro-8-fluoro-4-hydrazinylquinoline-3-carbonitrile
CID 62251972
5-bromo-8-chloro-4-(ethylamino)quinoline-3-carbonitrile
CID 62909428
3,8-dibromo-4-chloro-5-fluoroquinoline
CID 107627843
4-chloro-5-fluoro-3,8-dimethylquinoline
CID 171373227
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
4-chloro-5-methylquinoline-3-carbonitrile
CID 134691913
2,3-dichloro-6-fluorobenzonitrile
CID 3767163
5-chloro-8-fluoro-4-[(3-fluoro-4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 112840617

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).