6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile

C10H5ClN2O2 — CID 54699044

IUPAC6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(O)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C10H5ClN2O2/c11-5-1-2-8-6(3-5)9(14)7(4-12)10(15)13-8/h1-3H,(H2,13,14,15)
InChIKeyQUQSOQIZEMHOPI-UHFFFAOYSA-N
MW220.62 g/mol
LogP1.76
Rot. Bonds

About 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile

6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 54699044) has the molecular formula C10H5ClN2O2 and a molecular weight of 220.62 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID54699044
Molecular FormulaC10H5ClN2O2
Molecular Weight220.62 g/mol
Exact Mass220.00
IUPAC Name6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c(O)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C10H5ClN2O2/c11-5-1-2-8-6(3-5)9(14)7(4-12)10(15)13-8/h1-3H,(H2,13,14,15)
InChIKeyQUQSOQIZEMHOPI-UHFFFAOYSA-N
XLogP1.76
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile (CID 54699044) is 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile is N#Cc1c(O)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is QUQSOQIZEMHOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O2/c11-5-1-2-8-6(3-5)9(14)7(4-12)10(15)13-8/h1-3H,(H2,13,14,15).
What are the key properties of 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile?
6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 220.62 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 54699044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).