4-chloro-6,7-dihydroxyquinoline-3-carbonitrile

C10H5ClN2O2 — CID 135742179

IUPAC4-chloro-6,7-dihydroxyquinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(O)c(O)cc2c1Cl
InChIInChI=1S/C10H5ClN2O2/c11-10-5(3-12)4-13-7-2-9(15)8(14)1-6(7)10/h1-2,4,14-15H
InChIKeyNBJYSPJQMCMCDA-UHFFFAOYSA-N
MW220.62 g/mol
LogP2.17
Rot. Bonds

About 4-chloro-6,7-dihydroxyquinoline-3-carbonitrile

4-chloro-6,7-dihydroxyquinoline-3-carbonitrile (PubChem CID 135742179) has the molecular formula C10H5ClN2O2 and a molecular weight of 220.62 g/mol. Its IUPAC name is 4-chloro-6,7-dihydroxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6,7-dihydroxyquinoline-3-carbonitrile
PubChem CID135742179
Molecular FormulaC10H5ClN2O2
Molecular Weight220.62 g/mol
Exact Mass220.00
IUPAC Name4-chloro-6,7-dihydroxyquinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(O)c(O)cc2c1Cl
InChIInChI=1S/C10H5ClN2O2/c11-10-5(3-12)4-13-7-2-9(15)8(14)1-6(7)10/h1-2,4,14-15H
InChIKeyNBJYSPJQMCMCDA-UHFFFAOYSA-N
XLogP2.17
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-3-cyano-7-hydroxyquinolin-6-yl) acetate
CID 136614427
4-chloro-6,7-diethoxyquinoline-3-carbonitrile
CID 10778872
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) acetate
CID 59164220
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) 2,2-dimethylpropanoate
CID 141337524
4-chloro-6-(diethylamino)quinoline-3-carbonitrile
CID 63180357
4-chloro-7-(3-chloropropyl)-6-methoxyquinoline-3-carbonitrile
CID 141337550
4-chloro-7-(4-chlorobutoxy)-6-methoxyquinoline-3-carbonitrile
CID 11727096
4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile
CID 143338014
4-chloro-6-nitro-7-propan-2-yloxyquinoline-3-carbonitrile
CID 71425068
6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile
CID 24689998
4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile
CID 102941564
4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile
CID 150094247

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dihydroxyquinoline-3-carbonitrile?
The IUPAC name of 4-chloro-6,7-dihydroxyquinoline-3-carbonitrile (CID 135742179) is 4-chloro-6,7-dihydroxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-6,7-dihydroxyquinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-6,7-dihydroxyquinoline-3-carbonitrile is N#Cc1cnc2cc(O)c(O)cc2c1Cl.
What is the InChIKey of 4-chloro-6,7-dihydroxyquinoline-3-carbonitrile?
The InChIKey is NBJYSPJQMCMCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O2/c11-10-5(3-12)4-13-7-2-9(15)8(14)1-6(7)10/h1-2,4,14-15H.
What are the key properties of 4-chloro-6,7-dihydroxyquinoline-3-carbonitrile?
4-chloro-6,7-dihydroxyquinoline-3-carbonitrile has a molecular weight of 220.62 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dihydroxyquinoline-3-carbonitrile is sourced from PubChem (CID 135742179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).