5-amino-4-chloro-2-fluorobenzonitrile

C7H4ClFN2 — CID 91663027

IUPAC5-amino-4-chloro-2-fluorobenzonitrile
SMILESN#Cc1cc(N)c(Cl)cc1F
InChIInChI=1S/C7H4ClFN2/c8-5-2-6(9)4(3-10)1-7(5)11/h1-2H,11H2
InChIKeyCDHQUZJIGZYOOF-UHFFFAOYSA-N
MW170.57 g/mol
LogP1.93
Rot. Bonds

About 5-amino-4-chloro-2-fluorobenzonitrile

5-amino-4-chloro-2-fluorobenzonitrile (PubChem CID 91663027) has the molecular formula C7H4ClFN2 and a molecular weight of 170.57 g/mol. Its IUPAC name is 5-amino-4-chloro-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-amino-4-chloro-2-fluorobenzonitrile
PubChem CID91663027
Molecular FormulaC7H4ClFN2
Molecular Weight170.57 g/mol
Exact Mass170.00
IUPAC Name5-amino-4-chloro-2-fluorobenzonitrile
SMILESN#Cc1cc(N)c(Cl)cc1F
InChIInChI=1S/C7H4ClFN2/c8-5-2-6(9)4(3-10)1-7(5)11/h1-2H,11H2
InChIKeyCDHQUZJIGZYOOF-UHFFFAOYSA-N
XLogP1.93
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.57
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-fluorobenzonitrile?
The IUPAC name of 5-amino-4-chloro-2-fluorobenzonitrile (CID 91663027) is 5-amino-4-chloro-2-fluorobenzonitrile.
What is the SMILES notation for 5-amino-4-chloro-2-fluorobenzonitrile?
The canonical SMILES for 5-amino-4-chloro-2-fluorobenzonitrile is N#Cc1cc(N)c(Cl)cc1F.
What is the InChIKey of 5-amino-4-chloro-2-fluorobenzonitrile?
The InChIKey is CDHQUZJIGZYOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN2/c8-5-2-6(9)4(3-10)1-7(5)11/h1-2H,11H2.
What are the key properties of 5-amino-4-chloro-2-fluorobenzonitrile?
5-amino-4-chloro-2-fluorobenzonitrile has a molecular weight of 170.57 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-fluorobenzonitrile is sourced from PubChem (CID 91663027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).