5-Amino-2-fluoropyridine

HCID 819440CAS 1827-27-6

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(F)nc1
InChIKey: YTHMOBMZVVFNBE-UHFFFAOYSA-N
Molecular formula: C5H5FN2
Average molar mass: 112.1 g/mol
Monoisotopic mass: 112.04367638

Names & identifiers

Preferred name: 5-Amino-2-fluoropyridine
IUPAC: 6-fluoropyridin-3-amine
English name: 5-Amino-2-fluoropyridine
Molecular formula: C5H5FN2
Molecular weight: 112.11

Names & synonyms

5-Amino-2-fluoropyridine1827-27-66-fluoro-3-pyridinamineDTXSID30356082RefChem:532187DTXCID40307141675-011-26-fluoropyridin-3-amine2-fluoro-5-aminopyridine3-PYRIDINAMINE, 6-FLUORO-6-fluoro-pyridin-3-ylamine3-amino-6-fluoropyridine

Show more names

5-Amino-2-fL2-FLUOROPYRIDIN-5-AMINE6-Fluoro-3-pyridineamine5-Amine-2-fluoropyridine

MFCD016321806-fluoropyridin-3-ylamineSCHEMBL361163AKOS005064010AC-25154SY0142976-fluoro-3-pyridylamine2-Fluoro-5-Amino Pyridine

Database identifiers

CAS: 1827-27-6
PubChem CID: 819440
DTXSID: DTXSID30356082
EC Number: 675-011-2
Nikkaji: J763.324F

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 76.8

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 86 · 86-87°C
Boiling point: 264 · 264.0±20.0 °C(Predicted)
Density: 1.257 · 1.257±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 2 · 2+-.0.10(Predicted)
color: Purple to Dark purple to Dark red
InChI: 1S/C5H5FN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
InChIKey: YTHMOBMZVVFNBE-UHFFFAOYSA-N
SMILES: Nc1ccc(F)nc1
CAS DataBase Reference: 1827 · 1827-27-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 280 · P280-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-41-37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-41-37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H318-H335
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications

Uses5-Amino-2-fluoropyridine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.