4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile

C8H3ClN2O2 — CID 150094247

IUPAC4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(O)c(Cl)c(O)c1C#N
InChIInChI=1S/C8H3ClN2O2/c9-7-6(12)1-4(2-10)5(3-11)8(7)13/h1,12-13H
InChIKeyDTWLYWSHQUSBCU-UHFFFAOYSA-N
MW194.58 g/mol
LogP1.49
Rot. Bonds

About 4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile

4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile (PubChem CID 150094247) has the molecular formula C8H3ClN2O2 and a molecular weight of 194.58 g/mol. Its IUPAC name is 4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile
PubChem CID150094247
Molecular FormulaC8H3ClN2O2
Molecular Weight194.58 g/mol
Exact Mass193.99
IUPAC Name4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(O)c(Cl)c(O)c1C#N
InChIInChI=1S/C8H3ClN2O2/c9-7-6(12)1-4(2-10)5(3-11)8(7)13/h1,12-13H
InChIKeyDTWLYWSHQUSBCU-UHFFFAOYSA-N
XLogP1.49
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.58
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-3,4-dihydroxybenzonitrile
CID 45092966
2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile
CID 174607978
2-amino-4,5-dihydroxybenzene-1,3-dicarbonitrile
CID 90015414
3-chloro-2-fluoro-5,6-dihydroxybenzonitrile
CID 117280912
2-hydroxynaphthalene-1,4-dicarbonitrile
CID 70018518
4-chloro-6,7-dihydroxyquinoline-3-carbonitrile
CID 135742179
4,5-dihydroxy-2-prop-2-enylbenzene-1,3-dicarbonitrile
CID 90016422
4,5-dihydroxy-2-(3,4,5-trifluorophenyl)benzene-1,3-dicarbonitrile
CID 90015593
4,5-dihydroxy-2-(3-hydroxypropyl)benzene-1,3-dicarbonitrile
CID 90015356
4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile
CID 154016896
2-chloro-6-fluoro-3-hydroxybenzonitrile
CID 83410418
2,4-dibromo-5-hydroxybenzonitrile
CID 131338627

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile (CID 150094247) is 4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile is N#Cc1cc(O)c(Cl)c(O)c1C#N.
What is the InChIKey of 4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile?
The InChIKey is DTWLYWSHQUSBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClN2O2/c9-7-6(12)1-4(2-10)5(3-11)8(7)13/h1,12-13H.
What are the key properties of 4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile?
4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile has a molecular weight of 194.58 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 150094247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).