2-(2-cyano-3-fluorophenyl)guanidine

C8H7FN4 — CID 130567699

IUPAC2-(2-cyano-3-fluorophenyl)guanidine
SMILESN#Cc1c(F)cccc1N=C(N)N
InChIInChI=1S/C8H7FN4/c9-6-2-1-3-7(5(6)4-10)13-8(11)12/h1-3H,(H4,11,12,13)
InChIKeyOGBZWDBUFRAVEQ-UHFFFAOYSA-N
MW178.17 g/mol
LogP0.60
Rot. Bonds1

About 2-(2-cyano-3-fluorophenyl)guanidine

2-(2-cyano-3-fluorophenyl)guanidine (PubChem CID 130567699) has the molecular formula C8H7FN4 and a molecular weight of 178.17 g/mol. Its IUPAC name is 2-(2-cyano-3-fluorophenyl)guanidine.

Molecular Properties

Compound Name2-(2-cyano-3-fluorophenyl)guanidine
PubChem CID130567699
Molecular FormulaC8H7FN4
Molecular Weight178.17 g/mol
Exact Mass178.07
IUPAC Name2-(2-cyano-3-fluorophenyl)guanidine
SMILESN#Cc1c(F)cccc1N=C(N)N
InChIInChI=1S/C8H7FN4/c9-6-2-1-3-7(5(6)4-10)13-8(11)12/h1-3H,(H4,11,12,13)
InChIKeyOGBZWDBUFRAVEQ-UHFFFAOYSA-N
XLogP0.60
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(2-cyano-3-fluorophenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyano-2-methylphenyl)guanidine
CID 174548760
2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile
CID 167304274
1-(2-cyano-3-fluoro-N-methylanilino)-1-methylthiourea
CID 20849486
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile
CID 55274776
2-fluoro-6-(2-methylprop-2-enoyl)benzonitrile
CID 130136976
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile
CID 55296124
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
CID 67529789
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
3,6-difluoro-2-hydroxybenzonitrile
CID 45083150
2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
CID 55274364

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluorophenyl)guanidine?
The IUPAC name of 2-(2-cyano-3-fluorophenyl)guanidine (CID 130567699) is 2-(2-cyano-3-fluorophenyl)guanidine.
What is the SMILES notation for 2-(2-cyano-3-fluorophenyl)guanidine?
The canonical SMILES for 2-(2-cyano-3-fluorophenyl)guanidine is N#Cc1c(F)cccc1N=C(N)N.
What is the InChIKey of 2-(2-cyano-3-fluorophenyl)guanidine?
The InChIKey is OGBZWDBUFRAVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4/c9-6-2-1-3-7(5(6)4-10)13-8(11)12/h1-3H,(H4,11,12,13).
What are the key properties of 2-(2-cyano-3-fluorophenyl)guanidine?
2-(2-cyano-3-fluorophenyl)guanidine has a molecular weight of 178.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluorophenyl)guanidine is sourced from PubChem (CID 130567699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).