5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile

C7H4F3N3 — CID 130103192

IUPAC5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(N)c(C(F)F)nc1F
InChIInChI=1S/C7H4F3N3/c8-6(9)5-4(12)1-3(2-11)7(10)13-5/h1,6H,12H2
InChIKeyJLGXWUFSCCFIBY-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.61
Rot. Bonds1

About 5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile

5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile (PubChem CID 130103192) has the molecular formula C7H4F3N3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
PubChem CID130103192
Molecular FormulaC7H4F3N3
Molecular Weight187.12 g/mol
Exact Mass187.04
IUPAC Name5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(N)c(C(F)F)nc1F
InChIInChI=1S/C7H4F3N3/c8-6(9)5-4(12)1-3(2-11)7(10)13-5/h1,6H,12H2
InChIKeyJLGXWUFSCCFIBY-UHFFFAOYSA-N
XLogP1.61
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130103195
2-(difluoromethyl)-6-fluoropyridine-3,5-diamine
CID 130098608
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
CID 130075872
6-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbonitrile
CID 130103207
3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103729
5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
CID 130076275
6-(difluoromethyl)-2,5-difluoropyridin-3-amine
CID 130099529
6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130101612
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
5-amino-2-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130103775
3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902
3-bromo-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130108571

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile (CID 130103192) is 5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile is N#Cc1cc(N)c(C(F)F)nc1F.
What is the InChIKey of 5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile?
The InChIKey is JLGXWUFSCCFIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3/c8-6(9)5-4(12)1-3(2-11)7(10)13-5/h1,6H,12H2.
What are the key properties of 5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile?
5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile has a molecular weight of 187.12 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 130103192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).