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

C6H6F3N3 — CID 130098608

IUPAC2-(difluoromethyl)-6-fluoropyridine-3,5-diamine
SMILESNc1cc(N)c(C(F)F)nc1F
InChIInChI=1S/C6H6F3N3/c7-5(8)4-2(10)1-3(11)6(9)12-4/h1,5H,10-11H2
InChIKeyLOBPNPMGDQNPPV-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.32
Rot. Bonds1

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

2-(difluoromethyl)-6-fluoropyridine-3,5-diamine (PubChem CID 130098608) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluoropyridine-3,5-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluoropyridine-3,5-diamine
PubChem CID130098608
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name2-(difluoromethyl)-6-fluoropyridine-3,5-diamine
SMILESNc1cc(N)c(C(F)F)nc1F
InChIInChI=1S/C6H6F3N3/c7-5(8)4-2(10)1-3(11)6(9)12-4/h1,5H,10-11H2
InChIKeyLOBPNPMGDQNPPV-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

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-2,5-difluoropyridin-3-amine
CID 130099529
5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102453
5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130103192
5-amino-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130103195
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098782
3-(aminomethyl)-6-(difluoromethyl)pyridine-2,5-diamine
CID 130098680
6-chloro-5-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102456
6-(difluoromethyl)-5-fluoropyridine-2,4-diamine
CID 118805803
6-(difluoromethyl)-5-fluoropyridine-2,3-diamine
CID 130098596
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
5-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104126
6-(difluoromethyl)pyridine-2,5-diamine
CID 119004812

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-fluoropyridine-3,5-diamine?
The IUPAC name of 2-(difluoromethyl)-6-fluoropyridine-3,5-diamine (CID 130098608) is 2-(difluoromethyl)-6-fluoropyridine-3,5-diamine.
What is the SMILES notation for 2-(difluoromethyl)-6-fluoropyridine-3,5-diamine?
The canonical SMILES for 2-(difluoromethyl)-6-fluoropyridine-3,5-diamine is Nc1cc(N)c(C(F)F)nc1F.
What is the InChIKey of 2-(difluoromethyl)-6-fluoropyridine-3,5-diamine?
The InChIKey is LOBPNPMGDQNPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-5(8)4-2(10)1-3(11)6(9)12-4/h1,5H,10-11H2.
What are the key properties of 2-(difluoromethyl)-6-fluoropyridine-3,5-diamine?
2-(difluoromethyl)-6-fluoropyridine-3,5-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 2-(difluoromethyl)-6-fluoropyridine-3,5-diamine is sourced from PubChem (CID 130098608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).