2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile

C9H2ClN3O — CID 174607978

IUPAC2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(Cl)c(C#N)c1O
InChIInChI=1S/C9H2ClN3O/c10-8-5(2-11)1-6(3-12)9(14)7(8)4-13/h1,14H
InChIKeyJVMFFPBLBMAOFN-UHFFFAOYSA-N
MW203.59 g/mol
LogP1.66
Rot. Bonds

About 2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile

2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile (PubChem CID 174607978) has the molecular formula C9H2ClN3O and a molecular weight of 203.59 g/mol. Its IUPAC name is 2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile
PubChem CID174607978
Molecular FormulaC9H2ClN3O
Molecular Weight203.59 g/mol
Exact Mass202.99
IUPAC Name2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(Cl)c(C#N)c1O
InChIInChI=1S/C9H2ClN3O/c10-8-5(2-11)1-6(3-12)9(14)7(8)4-13/h1,14H
InChIKeyJVMFFPBLBMAOFN-UHFFFAOYSA-N
XLogP1.66
TPSA91.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.59
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3,5-dihydroxybenzene-1,2-dicarbonitrile
CID 150094247
2,6-dichloro-3,4-dihydroxybenzonitrile
CID 45092966
benzene-1,2,4,5-tetracarbonitrile
CID 12838
7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile
CID 130941944
2,3,5-trichlorobenzonitrile
CID 19800061
5-chloro-3-cyano-2-hydroxybenzoic acid
CID 130981649
2-amino-4,5-dihydroxybenzene-1,3-dicarbonitrile
CID 90015414
3-chloro-2-fluoro-5,6-dihydroxybenzonitrile
CID 117280912
3-tert-butyl-5-ethyl-2-hydroxybenzonitrile
CID 117291785
4-chloro-6,7-dihydroxyquinoline-3-carbonitrile
CID 135742179
2,3,6-trichloropyridine-4-carbonitrile
CID 154089690
5-acetyl-2,3-dichlorobenzonitrile
CID 171007860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile?
The IUPAC name of 2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile (CID 174607978) is 2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile is N#Cc1cc(C#N)c(Cl)c(C#N)c1O.
What is the InChIKey of 2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile?
The InChIKey is JVMFFPBLBMAOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2ClN3O/c10-8-5(2-11)1-6(3-12)9(14)7(8)4-13/h1,14H.
What are the key properties of 2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile?
2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile has a molecular weight of 203.59 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxybenzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 174607978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).