6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile

C10H3BrClFN2 — CID 24689998

IUPAC6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(F)cc(Br)cc2c1Cl
InChIInChI=1S/C10H3BrClFN2/c11-6-1-7-9(12)5(3-14)4-15-10(7)8(13)2-6/h1-2,4H
InChIKeyJJPMRRDVDYXAKY-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.66
Rot. Bonds

About 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile

6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile (PubChem CID 24689998) has the molecular formula C10H3BrClFN2 and a molecular weight of 285.50 g/mol. Its IUPAC name is 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile
PubChem CID24689998
Molecular FormulaC10H3BrClFN2
Molecular Weight285.50 g/mol
Exact Mass283.92
IUPAC Name6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(F)cc(Br)cc2c1Cl
InChIInChI=1S/C10H3BrClFN2/c11-6-1-7-9(12)5(3-14)4-15-10(7)8(13)2-6/h1-2,4H
InChIKeyJJPMRRDVDYXAKY-UHFFFAOYSA-N
XLogP3.66
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,8-dichloro-5-fluoroquinoline-3-carbonitrile
CID 107528767
4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile
CID 102941564
6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62188170
4-chloro-6,7-dihydroxyquinoline-3-carbonitrile
CID 135742179
5-bromo-7-fluoro-1-benzothiophene-3-carbonitrile
CID 131030749
5-bromo-7-fluoro-1H-indole-3-carbonitrile
CID 67356040
2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile
CID 138755822
4,8-dichloro-7-methoxyquinoline-3-carbonitrile
CID 12559432
2-bromo-5-chloro-3-fluorobenzonitrile
CID 131622399
3,8-dibromo-4-chloro-6-fluoroquinoline
CID 114759885
4,6-dichloro-2-(difluoromethyl)quinoline-3-carbonitrile;4,6-dichloro-8-(difluoromethyl)quinoline-3-carbonitrile
CID 157465150
6-bromo-4,8-dichloro-3-nitroquinoline
CID 102614066

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile?
The IUPAC name of 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile (CID 24689998) is 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile?
The canonical SMILES for 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile is N#Cc1cnc2c(F)cc(Br)cc2c1Cl.
What is the InChIKey of 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile?
The InChIKey is JJPMRRDVDYXAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrClFN2/c11-6-1-7-9(12)5(3-14)4-15-10(7)8(13)2-6/h1-2,4H.
What are the key properties of 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile?
6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile has a molecular weight of 285.50 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile is sourced from PubChem (CID 24689998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).