2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine

C6H4F3N3O2 — CID 130103953

IUPAC2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
SMILESNc1c(F)cc([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C6H4F3N3O2/c7-2-1-3(12(13)14)11-5(4(2)10)6(8)9/h1,6H,10H2
InChIKeyUVNOABIUARFHTC-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.65
Rot. Bonds2

About 2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine

2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine (PubChem CID 130103953) has the molecular formula C6H4F3N3O2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
PubChem CID130103953
Molecular FormulaC6H4F3N3O2
Molecular Weight207.11 g/mol
Exact Mass207.03
IUPAC Name2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
SMILESNc1c(F)cc([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C6H4F3N3O2/c7-2-1-3(12(13)14)11-5(4(2)10)6(8)9/h1,6H,10H2
InChIKeyUVNOABIUARFHTC-UHFFFAOYSA-N
XLogP1.65
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
CID 130110794
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine
CID 118804420
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
CID 118826123
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
CID 118820433
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine?
The IUPAC name of 2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine (CID 130103953) is 2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine.
What is the SMILES notation for 2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine?
The canonical SMILES for 2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine is Nc1c(F)cc([N+](=O)[O-])nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine?
The InChIKey is UVNOABIUARFHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O2/c7-2-1-3(12(13)14)11-5(4(2)10)6(8)9/h1,6H,10H2.
What are the key properties of 2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine?
2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine has a molecular weight of 207.11 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine is sourced from PubChem (CID 130103953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).