2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile

C10H5F2N3O — CID 125424459

IUPAC2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(N)[nH]c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C10H5F2N3O/c11-6-1-4-8(2-7(6)12)15-10(14)5(3-13)9(4)16/h1-2H,(H3,14,15,16)
InChIKeyHCBZVDMQWJRHEK-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.26
Rot. Bonds

About 2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile

2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile (PubChem CID 125424459) has the molecular formula C10H5F2N3O and a molecular weight of 221.17 g/mol. Its IUPAC name is 2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile
PubChem CID125424459
Molecular FormulaC10H5F2N3O
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(N)[nH]c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C10H5F2N3O/c11-6-1-4-8(2-7(6)12)15-10(14)5(3-13)9(4)16/h1-2H,(H3,14,15,16)
InChIKeyHCBZVDMQWJRHEK-UHFFFAOYSA-N
XLogP1.26
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile (CID 125424459) is 2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile is N#Cc1c(N)[nH]c2cc(F)c(F)cc2c1=O.
What is the InChIKey of 2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is HCBZVDMQWJRHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N3O/c11-6-1-4-8(2-7(6)12)15-10(14)5(3-13)9(4)16/h1-2H,(H3,14,15,16).
What are the key properties of 2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile?
2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 221.17 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-difluoro-4-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 125424459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).