2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile

C14H11ClN2O — CID 107735142

IUPAC2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile
SMILESCN(c1ccc(O)cc1)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H11ClN2O/c1-17(11-4-6-13(18)7-5-11)12-3-2-10(9-16)14(15)8-12/h2-8,18H,1H3
InChIKeyXNRUUBROTBYWNZ-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.69
Rot. Bonds2

About 2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile

2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile (PubChem CID 107735142) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile
PubChem CID107735142
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile
SMILESCN(c1ccc(O)cc1)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H11ClN2O/c1-17(11-4-6-13(18)7-5-11)12-3-2-10(9-16)14(15)8-12/h2-8,18H,1H3
InChIKeyXNRUUBROTBYWNZ-UHFFFAOYSA-N
XLogP3.69
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile
CID 107735111
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 62944238
2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile
CID 107933214
2-chloro-4-[(2-hydroxy-3-methoxypropyl)-methylamino]benzonitrile
CID 55152425
2-chloro-4-[2-ethoxyethyl(methyl)amino]benzonitrile
CID 81056253
2-chloro-4-[methyl(2-propan-2-yloxyethyl)amino]benzonitrile
CID 80708433
2-chloro-4-[2-cyanopropyl(methyl)amino]benzonitrile
CID 62944337
2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile
CID 113295659
2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
CID 62946990
2-chloro-N-(3-chloro-4-cyanophenyl)-N-ethylacetamide
CID 166415045
2-chloro-4-[cyclopentylmethyl(methyl)amino]benzonitrile
CID 63657360
2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile
CID 107735136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile?
The IUPAC name of 2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile (CID 107735142) is 2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile.
What is the SMILES notation for 2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile?
The canonical SMILES for 2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile is CN(c1ccc(O)cc1)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile?
The InChIKey is XNRUUBROTBYWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-17(11-4-6-13(18)7-5-11)12-3-2-10(9-16)14(15)8-12/h2-8,18H,1H3.
What are the key properties of 2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile?
2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile is sourced from PubChem (CID 107735142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).