3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine

C7H6BrF2N3O2 — CID 130106839

IUPAC3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
SMILESNc1c([N+](=O)[O-])cnc(C(F)F)c1CBr
InChIInChI=1S/C7H6BrF2N3O2/c8-1-3-5(11)4(13(14)15)2-12-6(3)7(9)10/h2,7H,1H2,(H2,11,12)
InChIKeyLIVHGMJHWYAPEY-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.40
Rot. Bonds3

About 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine

3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine (PubChem CID 130106839) has the molecular formula C7H6BrF2N3O2 and a molecular weight of 282.04 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
PubChem CID130106839
Molecular FormulaC7H6BrF2N3O2
Molecular Weight282.04 g/mol
Exact Mass280.96
IUPAC Name3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
SMILESNc1c([N+](=O)[O-])cnc(C(F)F)c1CBr
InChIInChI=1S/C7H6BrF2N3O2/c8-1-3-5(11)4(13(14)15)2-12-6(3)7(9)10/h2,7H,1H2,(H2,11,12)
InChIKeyLIVHGMJHWYAPEY-UHFFFAOYSA-N
XLogP2.40
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine
CID 130086553
[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
CID 130106938
2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
CID 134668880
2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
CID 118850927
3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 134663914
methyl 4-amino-2-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134664428
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097890
3-(bromomethyl)-4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
CID 130078592
[5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol
CID 130106954
6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine
CID 130106849

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine?
The IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine (CID 130106839) is 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine.
What is the SMILES notation for 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine?
The canonical SMILES for 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine is Nc1c([N+](=O)[O-])cnc(C(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine?
The InChIKey is LIVHGMJHWYAPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N3O2/c8-1-3-5(11)4(13(14)15)2-12-6(3)7(9)10/h2,7H,1H2,(H2,11,12).
What are the key properties of 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine?
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine has a molecular weight of 282.04 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine is sourced from PubChem (CID 130106839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).