4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile

C10H5ClFN3 — CID 107531231

IUPAC4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)ccc(F)c2c1N
InChIInChI=1S/C10H5ClFN3/c11-6-1-2-7(12)8-9(14)5(3-13)4-15-10(6)8/h1-2,4H,(H2,14,15)
InChIKeyNLRBQNGTTMMQNW-UHFFFAOYSA-N
MW221.62 g/mol
LogP2.48
Rot. Bonds

About 4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile

4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile (PubChem CID 107531231) has the molecular formula C10H5ClFN3 and a molecular weight of 221.62 g/mol. Its IUPAC name is 4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile
PubChem CID107531231
Molecular FormulaC10H5ClFN3
Molecular Weight221.62 g/mol
Exact Mass221.02
IUPAC Name4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)ccc(F)c2c1N
InChIInChI=1S/C10H5ClFN3/c11-6-1-2-7(12)8-9(14)5(3-13)4-15-10(6)8/h1-2,4H,(H2,14,15)
InChIKeyNLRBQNGTTMMQNW-UHFFFAOYSA-N
XLogP2.48
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.62
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile?
The IUPAC name of 4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile (CID 107531231) is 4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile.
What is the SMILES notation for 4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile?
The canonical SMILES for 4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile is N#Cc1cnc2c(Cl)ccc(F)c2c1N.
What is the InChIKey of 4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile?
The InChIKey is NLRBQNGTTMMQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3/c11-6-1-2-7(12)8-9(14)5(3-13)4-15-10(6)8/h1-2,4H,(H2,14,15).
What are the key properties of 4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile?
4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile has a molecular weight of 221.62 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile is sourced from PubChem (CID 107531231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).