3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine

C12H12BrFN4 — CID 105280899

IUPAC3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine
SMILESNNC(c1cnccc1N)c1ccc(Br)cc1F
InChIInChI=1S/C12H12BrFN4/c13-7-1-2-8(10(14)5-7)12(18-16)9-6-17-4-3-11(9)15/h1-6,12,18H,16H2,(H2,15,17)
InChIKeyVSYOAEUMPHIVGY-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.12
Rot. Bonds3

About 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine

3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine (PubChem CID 105280899) has the molecular formula C12H12BrFN4 and a molecular weight of 311.16 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine
PubChem CID105280899
Molecular FormulaC12H12BrFN4
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine
SMILESNNC(c1cnccc1N)c1ccc(Br)cc1F
InChIInChI=1S/C12H12BrFN4/c13-7-1-2-8(10(14)5-7)12(18-16)9-6-17-4-3-11(9)15/h1-6,12,18H,16H2,(H2,15,17)
InChIKeyVSYOAEUMPHIVGY-UHFFFAOYSA-N
XLogP2.12
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine 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

3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105279471
[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105280809
3-[(2-aminophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105223806
3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine
CID 103083626
1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708596
[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719
3-[2-(4-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 114906574
3-[hydrazinyl-(2-methylphenyl)methyl]pyridin-4-amine
CID 105200409
[1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105281009
[(3-fluoro-4-pyridinyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105258630
3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253
[(5-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105303164

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine (CID 105280899) is 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine is NNC(c1cnccc1N)c1ccc(Br)cc1F.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine?
The InChIKey is VSYOAEUMPHIVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4/c13-7-1-2-8(10(14)5-7)12(18-16)9-6-17-4-3-11(9)15/h1-6,12,18H,16H2,(H2,15,17).
What are the key properties of 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine?
3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine has a molecular weight of 311.16 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine is sourced from PubChem (CID 105280899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).