2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile

C14H10F2N2O — CID 107933214

IUPAC2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile
SMILESCN(c1ccc(O)cc1)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C14H10F2N2O/c1-18(10-3-5-11(19)6-4-10)12-7-2-9(8-17)13(15)14(12)16/h2-7,19H,1H3
InChIKeyHZUQJKSDDONSPY-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.31
Rot. Bonds2

About 2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile

2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile (PubChem CID 107933214) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile
PubChem CID107933214
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile
SMILESCN(c1ccc(O)cc1)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C14H10F2N2O/c1-18(10-3-5-11(19)6-4-10)12-7-2-9(8-17)13(15)14(12)16/h2-7,19H,1H3
InChIKeyHZUQJKSDDONSPY-UHFFFAOYSA-N
XLogP3.31
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-4-(4-methoxy-N-methylanilino)benzonitrile
CID 107933687
2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile
CID 107735142
2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile
CID 107735136
5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile
CID 107735111
2,3-difluoro-4-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 107933486
4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile
CID 107933424
2-(4-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673596
methyl 3-(4-cyano-2,3-difluoro-N-methylanilino)-2-methylpropanoate
CID 107933615
methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate
CID 107933593
4-[(4-bromophenyl)methyl-methylamino]-2,3-difluorobenzonitrile
CID 107933447
2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile
CID 113295659
2-bromo-4-(2-cyano-N-methylanilino)-3-fluorobenzonitrile
CID 107532974

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile?
The IUPAC name of 2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile (CID 107933214) is 2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile?
The canonical SMILES for 2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile is CN(c1ccc(O)cc1)c1ccc(C#N)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile?
The InChIKey is HZUQJKSDDONSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c1-18(10-3-5-11(19)6-4-10)12-7-2-9(8-17)13(15)14(12)16/h2-7,19H,1H3.
What are the key properties of 2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile?
2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile has a molecular weight of 260.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile is sourced from PubChem (CID 107933214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).