4-(difluoromethyl)-5-nitropyridin-3-amine

C6H5F2N3O2 — CID 130094685

IUPAC4-(difluoromethyl)-5-nitropyridin-3-amine
SMILESNc1cncc([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C6H5F2N3O2/c7-6(8)5-3(9)1-10-2-4(5)11(12)13/h1-2,6H,9H2
InChIKeyAMWVOOIQFBDXFW-UHFFFAOYSA-N
MW189.12 g/mol
LogP1.51
Rot. Bonds2

About 4-(difluoromethyl)-5-nitropyridin-3-amine

4-(difluoromethyl)-5-nitropyridin-3-amine (PubChem CID 130094685) has the molecular formula C6H5F2N3O2 and a molecular weight of 189.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-nitropyridin-3-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-nitropyridin-3-amine
PubChem CID130094685
Molecular FormulaC6H5F2N3O2
Molecular Weight189.12 g/mol
Exact Mass189.03
IUPAC Name4-(difluoromethyl)-5-nitropyridin-3-amine
SMILESNc1cncc([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C6H5F2N3O2/c7-6(8)5-3(9)1-10-2-4(5)11(12)13/h1-2,6H,9H2
InChIKeyAMWVOOIQFBDXFW-UHFFFAOYSA-N
XLogP1.51
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 51.51
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-5-nitropyridin-3-amine
CID 130705399
6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130101844
4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
CID 130106268
5-amino-4-(difluoromethyl)pyridin-3-ol
CID 130094642
3-(difluoromethyl)-5-nitropyridine-4-sulfonamide
CID 134670330
5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid
CID 134683272
4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine
CID 118845695
3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
CID 130069118
3-nitro-5-(trifluoromethyl)pyridin-4-amine
CID 118811335
6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine
CID 119014709
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-nitropyridin-3-amine?
The IUPAC name of 4-(difluoromethyl)-5-nitropyridin-3-amine (CID 130094685) is 4-(difluoromethyl)-5-nitropyridin-3-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-nitropyridin-3-amine?
The canonical SMILES for 4-(difluoromethyl)-5-nitropyridin-3-amine is Nc1cncc([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-nitropyridin-3-amine?
The InChIKey is AMWVOOIQFBDXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O2/c7-6(8)5-3(9)1-10-2-4(5)11(12)13/h1-2,6H,9H2.
What are the key properties of 4-(difluoromethyl)-5-nitropyridin-3-amine?
4-(difluoromethyl)-5-nitropyridin-3-amine has a molecular weight of 189.12 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-nitropyridin-3-amine is sourced from PubChem (CID 130094685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).