6-(difluoromethyl)-5-fluoropyridine-2,3-diamine

C6H6F3N3 — CID 130098596

IUPAC6-(difluoromethyl)-5-fluoropyridine-2,3-diamine
SMILESNc1cc(F)c(C(F)F)nc1N
InChIInChI=1S/C6H6F3N3/c7-2-1-3(10)6(11)12-4(2)5(8)9/h1,5H,10H2,(H2,11,12)
InChIKeyJOHOTRUMDICVPZ-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.32
Rot. Bonds1

About 6-(difluoromethyl)-5-fluoropyridine-2,3-diamine

6-(difluoromethyl)-5-fluoropyridine-2,3-diamine (PubChem CID 130098596) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoropyridine-2,3-diamine.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoropyridine-2,3-diamine
PubChem CID130098596
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name6-(difluoromethyl)-5-fluoropyridine-2,3-diamine
SMILESNc1cc(F)c(C(F)F)nc1N
InChIInChI=1S/C6H6F3N3/c7-2-1-3(10)6(11)12-4(2)5(8)9/h1,5H,10H2,(H2,11,12)
InChIKeyJOHOTRUMDICVPZ-UHFFFAOYSA-N
XLogP1.32
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-2,5-difluoropyridin-3-amine
CID 130099529
5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine
CID 130098671
5,6-diamino-2-(difluoromethyl)pyridine-3-carboxamide
CID 119003054
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
3-(aminomethyl)-6-(difluoromethyl)pyridine-2,5-diamine
CID 130098680
2-(difluoromethyl)-6-fluoropyridine-3,5-diamine
CID 130098608
ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134683603
6-(difluoromethyl)-5-fluoropyridine-2,4-diamine
CID 118805803
2-(difluoromethyl)-3-fluoro-5,6-diiodopyridine
CID 130100474
2-(difluoromethyl)-3,6-difluoro-5-methylpyridine
CID 130099696

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoropyridine-2,3-diamine?
The IUPAC name of 6-(difluoromethyl)-5-fluoropyridine-2,3-diamine (CID 130098596) is 6-(difluoromethyl)-5-fluoropyridine-2,3-diamine.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoropyridine-2,3-diamine?
The canonical SMILES for 6-(difluoromethyl)-5-fluoropyridine-2,3-diamine is Nc1cc(F)c(C(F)F)nc1N.
What is the InChIKey of 6-(difluoromethyl)-5-fluoropyridine-2,3-diamine?
The InChIKey is JOHOTRUMDICVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-2-1-3(10)6(11)12-4(2)5(8)9/h1,5H,10H2,(H2,11,12).
What are the key properties of 6-(difluoromethyl)-5-fluoropyridine-2,3-diamine?
6-(difluoromethyl)-5-fluoropyridine-2,3-diamine has a molecular weight of 177.13 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-fluoropyridine-2,3-diamine is sourced from PubChem (CID 130098596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).