2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile

C7H3F4N3O — CID 119022260

IUPAC2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(F)nc(N)c1OC(F)(F)F
InChIInChI=1S/C7H3F4N3O/c8-4-1-3(2-12)5(6(13)14-4)15-7(9,10)11/h1H,(H2,13,14)
InChIKeySKILSHDSLPYLNH-UHFFFAOYSA-N
MW221.11 g/mol
LogP1.57
Rot. Bonds1

About 2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile

2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 119022260) has the molecular formula C7H3F4N3O and a molecular weight of 221.11 g/mol. Its IUPAC name is 2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID119022260
Molecular FormulaC7H3F4N3O
Molecular Weight221.11 g/mol
Exact Mass221.02
IUPAC Name2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(F)nc(N)c1OC(F)(F)F
InChIInChI=1S/C7H3F4N3O/c8-4-1-3(2-12)5(6(13)14-4)15-7(9,10)11/h1H,(H2,13,14)
InChIKeySKILSHDSLPYLNH-UHFFFAOYSA-N
XLogP1.57
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119024165
2-amino-6-nitro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119003073
methyl 6-amino-4-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096930
6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131492432
2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119014677
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131411382
6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131282215
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
6-amino-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118997448

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile (CID 119022260) is 2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1cc(F)nc(N)c1OC(F)(F)F.
What is the InChIKey of 2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is SKILSHDSLPYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4N3O/c8-4-1-3(2-12)5(6(13)14-4)15-7(9,10)11/h1H,(H2,13,14).
What are the key properties of 2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile?
2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 221.11 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 119022260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).