2-amino-5-fluorobenzonitrile

C7H5FN2 — CID 2737704

IUPAC2-amino-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1N
InChIInChI=1S/C7H5FN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
InChIKeyVFQDFQDXMNVDPW-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.28
Rot. Bonds

About 2-amino-5-fluorobenzonitrile

2-amino-5-fluorobenzonitrile (PubChem CID 2737704) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 2-amino-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-amino-5-fluorobenzonitrile
PubChem CID2737704
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name2-amino-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1N
InChIInChI=1S/C7H5FN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
InChIKeyVFQDFQDXMNVDPW-UHFFFAOYSA-N
XLogP1.28
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
2-amino-5-(2-bromo-4-fluoroanilino)benzonitrile
CID 115499059
5-fluoro-2-iodobenzonitrile
CID 34175641
2-(2-amino-5-bromoanilino)-5-fluorobenzonitrile
CID 82014339
2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
CID 162352092
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
2-(1-aminoethyl)-5-fluorobenzonitrile
CID 103845918
2-(2-amino-4-methylanilino)-5-fluorobenzonitrile
CID 82013404
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-amino-4-(4-fluorophenyl)benzonitrile;ethane
CID 143899726
2-amino-5-(1-amino-1-hydroxyethyl)benzonitrile
CID 150589041
2-[(2-amino-5-fluorophenyl)sulfanylmethyl]benzonitrile
CID 79148127

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluorobenzonitrile?
The IUPAC name of 2-amino-5-fluorobenzonitrile (CID 2737704) is 2-amino-5-fluorobenzonitrile.
What is the SMILES notation for 2-amino-5-fluorobenzonitrile?
The canonical SMILES for 2-amino-5-fluorobenzonitrile is N#Cc1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluorobenzonitrile?
The InChIKey is VFQDFQDXMNVDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2.
What are the key properties of 2-amino-5-fluorobenzonitrile?
2-amino-5-fluorobenzonitrile has a molecular weight of 136.13 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluorobenzonitrile is sourced from PubChem (CID 2737704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).