2-fluoro-6-(3-hydroxyanilino)benzonitrile

C13H9FN2O — CID 82242626

IUPAC2-fluoro-6-(3-hydroxyanilino)benzonitrile
SMILESN#Cc1c(F)cccc1Nc1cccc(O)c1
InChIInChI=1S/C13H9FN2O/c14-12-5-2-6-13(11(12)8-15)16-9-3-1-4-10(17)7-9/h1-7,16-17H
InChIKeyGFKACQDXULKMQU-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.15
Rot. Bonds2

About 2-fluoro-6-(3-hydroxyanilino)benzonitrile

2-fluoro-6-(3-hydroxyanilino)benzonitrile (PubChem CID 82242626) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-fluoro-6-(3-hydroxyanilino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(3-hydroxyanilino)benzonitrile
PubChem CID82242626
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-fluoro-6-(3-hydroxyanilino)benzonitrile
SMILESN#Cc1c(F)cccc1Nc1cccc(O)c1
InChIInChI=1S/C13H9FN2O/c14-12-5-2-6-13(11(12)8-15)16-9-3-1-4-10(17)7-9/h1-7,16-17H
InChIKeyGFKACQDXULKMQU-UHFFFAOYSA-N
XLogP3.15
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoroanilino)phenol
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2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
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N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide
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2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
2-(4-aminoanilino)-6-fluorobenzonitrile
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2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
CID 79513028
4-(2-cyano-3-fluoroanilino)-3,5-difluorobenzoic acid
CID 63187452
2-(4-acetylanilino)-6-fluorobenzonitrile
CID 15041456
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile
CID 104533044

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-hydroxyanilino)benzonitrile?
The IUPAC name of 2-fluoro-6-(3-hydroxyanilino)benzonitrile (CID 82242626) is 2-fluoro-6-(3-hydroxyanilino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(3-hydroxyanilino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(3-hydroxyanilino)benzonitrile is N#Cc1c(F)cccc1Nc1cccc(O)c1.
What is the InChIKey of 2-fluoro-6-(3-hydroxyanilino)benzonitrile?
The InChIKey is GFKACQDXULKMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-12-5-2-6-13(11(12)8-15)16-9-3-1-4-10(17)7-9/h1-7,16-17H.
What are the key properties of 2-fluoro-6-(3-hydroxyanilino)benzonitrile?
2-fluoro-6-(3-hydroxyanilino)benzonitrile has a molecular weight of 228.23 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-hydroxyanilino)benzonitrile is sourced from PubChem (CID 82242626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).